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7015-25-0 molecular structure
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2-phenylcyclopentane-1-carboxylic acid

ChemBase ID: 798089
Molecular Formular: C12H14O2
Molecular Mass: 190.23836
Monoisotopic Mass: 190.09937969
SMILES and InChIs

SMILES:
C1(C(CCC1)c1ccccc1)C(=O)O
Canonical SMILES:
OC(=O)C1CCCC1c1ccccc1
InChI:
InChI=1S/C12H14O2/c13-12(14)11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,13,14)
InChIKey:
CINPEFPDYGSEDP-UHFFFAOYSA-N

Cite this record

CBID:798089 http://www.chembase.cn/molecule-798089.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-phenylcyclopentane-1-carboxylic acid
IUPAC Traditional name
2-phenylcyclopentane-1-carboxylic acid
Synonyms
2-Phenyl-cyclopentanecarboxylic acid
CAS Number
7015-25-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10352 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10352 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.685279  H Acceptors
H Donor LogD (pH = 5.5) 1.9906192 
LogD (pH = 7.4) 0.21275678  Log P 2.866411 
Molar Refractivity 53.8885 cm3 Polarizability 21.155083 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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