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1210358-54-5 molecular structure
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1-(1H-pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid

ChemBase ID: 308404
Molecular Formular: C8H10N2O2
Molecular Mass: 166.1772
Monoisotopic Mass: 166.07422757
SMILES and InChIs

SMILES:
C1(C(=O)O)(CC1)Cn1nccc1
Canonical SMILES:
OC(=O)C1(CC1)Cn1cccn1
InChI:
InChI=1S/C8H10N2O2/c11-7(12)8(2-3-8)6-10-5-1-4-9-10/h1,4-5H,2-3,6H2,(H,11,12)
InChIKey:
PAWQPEDNWKHQNR-UHFFFAOYSA-N

Cite this record

CBID:308404 http://www.chembase.cn/molecule-308404.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(1H-pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid
IUPAC Traditional name
1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid
Synonyms
1-(1H-pyrazol-1-ylmethyl)cyclopropanecarboxylic acid
CAS Number
1210358-54-5
MDL Number
MFCD12198438

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8455138  LogD (pH = 7.4) -2.4572775 
Log P 0.6532974  Molar Refractivity 53.0187 cm3
Polarizability 16.180937 Å3 Polar Surface Area 55.12 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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