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113124-12-2 molecular structure
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5H,6H,7H-cyclopenta[b]pyridine-3-carboxylic acid

ChemBase ID: 310521
Molecular Formular: C9H9NO2
Molecular Mass: 163.17326
Monoisotopic Mass: 163.06332853
SMILES and InChIs

SMILES:
c1(C(=O)O)cc2c(nc1)CCC2
Canonical SMILES:
OC(=O)c1cnc2c(c1)CCC2
InChI:
InChI=1S/C9H9NO2/c11-9(12)7-4-6-2-1-3-8(6)10-5-7/h4-5H,1-3H2,(H,11,12)
InChIKey:
KDCDSNYNWQNPRU-UHFFFAOYSA-N

Cite this record

CBID:310521 http://www.chembase.cn/molecule-310521.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5H,6H,7H-cyclopenta[b]pyridine-3-carboxylic acid
IUPAC Traditional name
5H,6H,7H-cyclopenta[b]pyridine-3-carboxylic acid
Synonyms
6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CAS Number
113124-12-2
MDL Number
MFCD09035048

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) -0.40057486  LogD (pH = 7.4) -1.5807189 
Log P -0.29038587  Molar Refractivity 43.6147 cm3
Polarizability 16.42021 Å3 Polar Surface Area 50.19 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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