Chembase list of 866358 unique molecular structures

(2S)-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-hydroxybutanoic acid

$$$$ Data

M. F.

C12H11NO5

Suppliers	Catalog Number
Sigma Aldrich	409650

Database	Data ID
PubChem	688218

M. W.

249.21944

CAS

48172-10-7

Similarity

N/A

ID: 145402

benzyl 2-hydroxyacetate

$$$$ Data

M. F.

C9H10O3

Suppliers	Catalog Number
Sigma Aldrich	410926

Database	Data ID
PubChem	561337

M. W.

166.1739

CAS

30379-58-9

Similarity

N/A

ID: 145403

chloro(methyl)zinc

$$$$ Data

M. F.

CH3ClZn

Suppliers	Catalog Number
Sigma Aldrich	417297

Database	Data ID
PubChem	4152418

M. W.

115.86752

CAS

5158-46-3

Similarity

N/A

ID: 145404

7-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one

$$$$ Data

M. F.

C16H14O3

Suppliers	Catalog Number
Sigma Aldrich	419788
Alfa Aesar	B25358

Database	Data ID
PubChem	2825024

M. W.

254.28056

CAS

21785-09-1

Similarity

N/A

ID: 145405

(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid

$$$$ Data

M. F.

C10H14O3

Suppliers	Catalog Number
Sigma Aldrich	420964 60722

Database	Data ID
PubChem	739183

M. W.

182.21636

CAS

40724-67-2

Similarity

N/A

ID: 145406

tris(propan-2-yl)silanethiol

$$$$ Data

M. F.

C9H22SSi

Suppliers	Catalog Number
Sigma Aldrich	429937

Database	Data ID
PubChem	3435097

M. W.

190.42148

CAS

156275-96-6

Similarity

N/A

ID: 145407

bromo(3-methoxyphenyl)magnesium

$$$$ Data

M. F.

C7H7BrMgO

Suppliers	Catalog Number
Sigma Aldrich	442194

Database	Data ID
PubChem	4605969

M. W.

211.33888

CAS

36282-40-3

Similarity

N/A

ID: 145408

1-(morpholin-4-yl)prop-2-en-1-one

$$$$ Data

M. F.

C7H11NO2

Suppliers	Catalog Number
Sigma Aldrich	448273
Alfa Aesar	L12947
A&J Pharmtech	AJA-O1618

Database	Data ID
PubChem	98723

M. W.

141.16774

CAS

5117-12-4

Similarity

N/A

ID: 145409

diphenylphosphane borane

$$$$ Data

M. F.

C12H14BP

Suppliers	Catalog Number
Sigma Aldrich	449563

Database	Data ID
PubChem	11095625

M. W.

200.024321

CAS

41593-58-2

Similarity

N/A

ID: 145410

pyridin-1-ium pentafluoro-λ⁶-tellanolate

$$$$ Data

M. F.

C5H6F5NOTe

Suppliers	Catalog Number
Sigma Aldrich	438391

Database	Data ID
PubChem	71311156

M. W.

318.699256

CAS

40904-35-6

Similarity

N/A

ID: 145411

diethyl methyl(sulfanylidene)phosphonite

$$$$ Data

M. F.

C5H13O2PS

Suppliers	Catalog Number
Sigma Aldrich	443360

Database	Data ID
PubChem	23426

M. W.

168.194281

CAS

6996-81-2

Similarity

N/A

ID: 145412

(²H₃₅)octadecanoic acid

$$$$ Data

M. F.

C18H36O2

Suppliers	Catalog Number
Sigma Aldrich	448249

Database	Data ID
PubChem	12346575

M. W.

284.47724

CAS

17660-51-4

Similarity

N/A

ID: 145413

[(4R,5R)-5-(hydroxydiphenylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]diphenylmethan...

$$$$ Data

M. F.

C36H35ClO4Ti

Suppliers	Catalog Number
Sigma Aldrich	449520

Database	Data ID
PubChem	71311157

M. W.

614.9807

CAS

132068-98-5

Similarity

N/A

ID: 145414

(4R)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one

$$$$ Data

M. F.

C12H15NO2

Suppliers	Catalog Number
Sigma Aldrich	450685
A&J Pharmtech	AJA-O3891

Database	Data ID
PubChem	11229494

M. W.

205.253

CAS

204851-73-0

Similarity

N/A

ID: 145415

4-sulfanylbutan-1-ol

$$$$ Data

M. F.

C4H10OS

Suppliers	Catalog Number
Sigma Aldrich	451878 63757

Database	Data ID
PubChem	548261

M. W.

106.1866

CAS

14970-83-3

Similarity

N/A

ID: 145416

3,4-diethyl 1-{2-[3,4-bis(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]ethyl}-2,5...

$$$$ Data

M. F.

C26H36N2O8

Suppliers	Catalog Number
Sigma Aldrich	453099

Database	Data ID
PubChem	3449169

M. W.

504.57264

CAS

131970-78-0

Similarity

N/A

ID: 145417

(3aS,8aR)-2H,3H,3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-one

$$$$ Data

M. F.

C10H9NO2

Suppliers	Catalog Number
Sigma Aldrich	463973

Database	Data ID
PubChem	10954036

M. W.

175.18396

CAS

135969-64-1

Similarity

N/A

ID: 145418

5-({bis[(2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl)oxy]chromio}oxy)-2,2,6,6-tetram...

$$$$ Data

M. F.

C33H57CrO6

Suppliers	Catalog Number
Sigma Aldrich	468223

Database	Data ID
PubChem	71311158

M. W.

601.79818

CAS

14434-47-0

Similarity

N/A

ID: 145419

(2R)-2-(4-chlorophenyl)-2-hydroxyacetonitrile

$$$$ Data

M. F.

C8H6ClNO

Suppliers	Catalog Number
Sigma Aldrich	469742

Database	Data ID
PubChem	9497658

M. W.

167.59234

CAS

97070-79-6

Similarity

N/A

ID: 145420

2-chloro-1-isothiocyanato-4-nitrobenzene

$$$$ Data

M. F.

C7H3ClN2O2S

Suppliers	Catalog Number
Sigma Aldrich	474975
Alfa Aesar	L10898

Database	Data ID
PubChem	2757736

M. W.

214.62892

CAS

23165-64-2

Similarity

N/A

ID: 145421

(²H₁₀)cyclohex-1-ene

$$$$ Data

M. F.

C6H10

Suppliers	Catalog Number
Sigma Aldrich	480452

Database	Data ID
PubChem	16213229

M. W.

82.1436

CAS

16035-50-0

Similarity

N/A

ID: 145422

(1R,2R)-1-phenylcyclohexane-1,2-diol

$$$$ Data

M. F.

C12H16O2

Suppliers	Catalog Number
Sigma Aldrich	482935

Database	Data ID
PubChem	2755676

M. W.

192.25424

CAS

125132-75-4

Similarity

N/A

ID: 145423

(1,2,3,4,5,6-¹³C₆)aniline

$$$$ Data

M. F.

C6H7N

Suppliers	Catalog Number
Sigma Aldrich	485497

Database	Data ID
PubChem	11286442

M. W.

99.08240903

CAS

100849-37-4

Similarity

N/A

ID: 145424

6,11-dihydroxy-5,12-dihydrotetracene-5,12-dione

$$$$ Data

M. F.

C18H10O4

Suppliers	Catalog Number
Sigma Aldrich	409715

Database	Data ID
PubChem	344329

M. W.

290.2696

CAS

1785-52-0

Similarity

N/A

ID: 145425

2-aminopropan-1-ol; 2-methoxyethan-1-ol; propane-1,3-diol

$$$$ Data

M. F.

C9H25NO5

Suppliers	Catalog Number
Sigma Aldrich	422118 09303

Database	Data ID
PubChem	16211147

M. W.

227.2985

CAS

77110-54-4

Similarity

N/A

ID: 145426

coppercarbonitrile

$$$$ Data

M. F.

CCuN

Suppliers	Catalog Number
Sigma Aldrich	423467

Database	Data ID
PubChem	12628443

M. W.

90.55605484

CAS

93596-81-7

Similarity

N/A

ID: 145427

ethyl 4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate

$$$$ Data

M. F.

C10H14O4

Suppliers	Catalog Number
Sigma Aldrich	298727

Database	Data ID
PubChem	4428207

M. W.

198.21576

CAS

67174-68-9

Similarity

N/A

ID: 145428

[(trifluoroacetyl)oxy]cuprio 2,2,2-trifluoroacetate hydrate

$$$$ Data

M. F.

C4H2CuF6O5

Suppliers	Catalog Number
Sigma Aldrich	311189

Database	Data ID
PubChem	71311159

M. W.

307.5920992

CAS

123333-88-0

Similarity

N/A

ID: 145429

4-hydroxy-5-methylcyclopent-4-ene-1,3-dione hydrate

$$$$ Data

M. F.

C6H8O4

Suppliers	Catalog Number
Sigma Aldrich	322997

Database	Data ID
PubChem	16212032

M. W.

144.12532

CAS

179990-31-9

Similarity

N/A

ID: 145430

copper(2+) ion hydroxycopperylium phosphate

$$$$ Data

M. F.

Cu2HO5P

Suppliers	Catalog Number
Sigma Aldrich	344400

Database	Data ID
PubChem	71311160

M. W.

239.070701

CAS

12158-74-6

Similarity

N/A

ID: 145431

ethyl (2E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate

$$$$ Data

M. F.

C10H16O4

Suppliers	Catalog Number
Sigma Aldrich	346810 59434

Database	Data ID
PubChem	6364657

M. W.

200.23164

CAS

64520-58-7

Similarity

N/A

ID: 145432

ethynyltriphenylsilane

$$$$ Data

M. F.

C20H16Si

Suppliers	Catalog Number
Sigma Aldrich	360058

Database	Data ID
PubChem	642601

M. W.

284.42654

CAS

6229-00-1

Similarity

N/A

ID: 145433

2-({4-[2-(2-chloro-4-nitrophenyl)diazen-1-yl]phenyl}(ethyl)amino)ethan-1-ol

$$$$ Data

M. F.

C16H17ClN4O3

Suppliers	Catalog Number
Sigma Aldrich	364827

Database	Data ID
PubChem	18516

M. W.

348.78418

CAS

3180-81-2

Similarity

N/A

ID: 145434

5,7-dibromo-2-methylquinolin-8-ol

$$$$ Data

M. F.

C10H7Br2NO

Suppliers	Catalog Number
Sigma Aldrich	367117

Database	Data ID
PubChem	65620

M. W.

316.97668

CAS

15599-52-7

Similarity

N/A

ID: 145435

tris(dimethyl(phenyl)phosphane); trichlororhenium

$$$$ Data

M. F.

C24H33Cl3P3Re

Suppliers	Catalog Number
Sigma Aldrich	390712

Database	Data ID
PubChem	6102111

M. W.

707.006103

CAS

14710-16-8

Similarity

N/A

ID: 145436

bis(trimethylsilyl)amine; chlorotrimethylsilane; pyridine

$$$$ Data

M. F.

C14H33ClN2Si3

Suppliers	Catalog Number
Sigma Aldrich	394629

Database	Data ID
PubChem	19959856

M. W.

349.13472

CAS

Similarity

N/A

ID: 145437

mercury sodium

$$$$ Data

M. F.

HgNa

Suppliers	Catalog Number
Sigma Aldrich	451908 451894 451886

Database	Data ID
PubChem	9837419

M. W.

223.57977

CAS

11110-52-4

Similarity

N/A

ID: 145438

methyltris({[tris(butan-2-yloxy)silyl]oxy})silane

$$$$ Data

M. F.

C37H84O12Si4

Suppliers	Catalog Number
Sigma Aldrich	454869

Database	Data ID
PubChem	108495

M. W.

833.39766

CAS

60711-47-9

Similarity

N/A

ID: 145439

(4S)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane

$$$$ Data

M. F.

C6H11ClO2

Suppliers	Catalog Number
Sigma Aldrich	456144
Alfa Aesar	L18560
A&J Pharmtech	AJA-O6692

Database	Data ID
PubChem	6930483

M. W.

150.60334

CAS

60456-22-6

Similarity

N/A

ID: 145440

4-bromophenyl chloroformate

$$$$ Data

M. F.

C7H4BrClO2

Suppliers	Catalog Number
Sigma Aldrich	328707

Database	Data ID
PubChem	5237736

M. W.

235.46246

CAS

7693-44-9

Similarity

N/A

ID: 145441

(2R)-2-[(3aR,5S,6S,6aR)-6-(acetyloxy)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3...

$$$$ Data

M. F.

C19H24O10S

Suppliers	Catalog Number
Sigma Aldrich	332267

Database	Data ID
PubChem	14077997

M. W.

444.45286

CAS

102029-58-3

Similarity

N/A

ID: 145442

1-iodo-2-[2-(2-iodoethoxy)ethoxy]ethane

$$$$ Data

M. F.

C6H12I2O2

Suppliers	Catalog Number
Sigma Aldrich	333433

Database	Data ID
PubChem	593436

M. W.

369.96722

CAS

36839-55-1

Similarity

N/A

ID: 145443

(2-amino-5-chlorophenyl)methanol

$$$$ Data

M. F.

C7H8ClNO

Suppliers	Catalog Number
Sigma Aldrich	339539
Alfa Aesar	H30531

Database	Data ID
PubChem	586754

M. W.

157.59752

CAS

37585-25-4

Similarity

N/A

ID: 145444

(²H₅)-1H-pyrrole

$$$$ Data

M. F.

C4H5N

Suppliers	Catalog Number
Sigma Aldrich	344389

Database	Data ID
PubChem	16212259

M. W.

67.0892

CAS

18430-85-8

Similarity

N/A

ID: 145445

rubidium(1+) ion tetraphenylboranuide

$$$$ Data

M. F.

C24H20BRb

Suppliers	Catalog Number
Sigma Aldrich	345679

Database	Data ID
PubChem	23676742

M. W.

404.6944

CAS

5971-93-7

Similarity

N/A

ID: 145446

chloro(2-methylphenyl)magnesium

$$$$ Data

M. F.

C7H7ClMg

Suppliers	Catalog Number
Sigma Aldrich	360023 90132

Database	Data ID
PubChem	118563

M. W.

150.88848

CAS

33872-80-9

Similarity

N/A

ID: 145447

sodium 4-aminobenzoate hydrate

$$$$ Data

M. F.

C7H8NNaO3

Suppliers	Catalog Number
Sigma Aldrich	361178

Database	Data ID
PubChem	16212299

M. W.

177.13309

CAS

206557-08-6

Similarity

N/A

ID: 145448

4-{2-[4-(2-phenyldiazen-1-yl)naphthalen-1-yl]diazen-1-yl}phenol

$$$$ Data

M. F.

C22H16N4O

Suppliers	Catalog Number
Sigma Aldrich	212296 364800

Database	Data ID
PubChem	5360146

M. W.

352.38864

CAS

6253-10-7

Similarity

N/A

ID: 145449

1,2-dimethoxyethane; tribromoniobium

$$$$ Data

M. F.

C4H10Br3NbO2

Suppliers	Catalog Number
Sigma Aldrich	365955

Database	Data ID
PubChem	71311161

M. W.

422.73938

CAS

126083-88-3

Similarity

N/A

ID: 145450

hexadecan-2-one

$$$$ Data

M. F.

C16H32O

Suppliers	Catalog Number
Sigma Aldrich	374180 69250
TRC	H293550

Database	Data ID
PubChem	29251

M. W.

240.42468

CAS

18787-63-8

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified