Molecule ID: 22053264

IUPAC Name: 4-phenylbutanoate

Description: The molecule is a carboxylic acid anion obtained by the removal of proton from the carboxy group of 4-phenylbutyric acid. It is a conjugate base of a 4-phenylbutyric acid.

SMILES: O=C([O-])CCCc1ccccc1

SELFIES: [O][=C][Branch1][C][O-1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/p-1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 3.1