Molecule ID: 72871

IUPAC Name: 4-oxo-4-phenylbutanoic acid

Description: The molecule is a 4-oxo monocarboxylic acid that is butyric acid bearing oxo and phenyl substituents at position 4. It has a role as a hapten. It derives from a butyric acid.

SMILES: O=C(O)CCC(=O)c1ccccc1

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

InChI: InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 1.3