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3-Phenyl-3-cyclopentenecarboxylic acid

HCID 20076680
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Basic information

Standard SMILES
O=C(O)C1CC=C(c2ccccc2)C1
InChIKey
FPLXHQYZDPZBQC-UHFFFAOYSA-N
Molecular formula
C12H12O2
Average molar mass
188.22 g/mol

Names & identifiers

Preferred name
3-Phenyl-3-cyclopentenecarboxylic acid
IUPAC
3-phenylcyclopent-3-ene-1-carboxylic acid

Names & synonyms

3-phenyl-3-cyclopentenecarboxylic acid54143-11-2SCHEMBL7809957FPLXHQYZDPZBQC-UHFFFAOYSA-NDB-3245183-CYCLOPENTENE-1-CARBOXYLIC ACID, 3-PHENYL-

Database identifiers

PubChem CID
20076680

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
249

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Related reactions

3 records
New reaction record
HRID 951239 reaction equation
HRID 951239As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1034202 reaction equation
HRID 1034202As productuspto-grants-1994_05
HRID 1654694 reaction equation
HRID 1654694As productuspto-grants-1995_04

Compound notes

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