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1092351-84-2 molecular structure
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methyl 1-methyl-1H-indazole-7-carboxylate

ChemBase ID: 64512
Molecular Formular: C10H10N2O2
Molecular Mass: 190.1986
Monoisotopic Mass: 190.07422757
SMILES and InChIs

SMILES:
c1(c2n(ncc2ccc1)C)C(=O)OC
Canonical SMILES:
COC(=O)c1cccc2c1n(C)nc2
InChI:
InChI=1S/C10H10N2O2/c1-12-9-7(6-11-12)4-3-5-8(9)10(13)14-2/h3-6H,1-2H3
InChIKey:
ARLZANUTGUOGEG-UHFFFAOYSA-N

Cite this record

CBID:64512 http://www.chembase.cn/molecule-64512.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 1-methyl-1H-indazole-7-carboxylate
IUPAC Traditional name
methyl 1-methylindazole-7-carboxylate
Synonyms
7-(Methoxycarbonyl)-1-methyl-1H-indazole
Methyl 1-methyl-1H-indazole-7-carboxylate
1-Methyl-1H-indazole-7-carboxylic acid methyl ester
CAS Number
1092351-84-2
MDL Number
MFCD11109404
PubChem SID
162030251
PubChem CID
37818682

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 37818682 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4234582  LogD (pH = 7.4) 1.4234607 
Log P 1.4234607  Molar Refractivity 63.3144 cm3
Polarizability 20.825186 Å3 Polar Surface Area 44.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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