Molecule ID: 10296

IUPAC Name: 2-phenylpropanoic acid

Description: The molecule is a 2-arylpropionic acid carrying a phenyl group at position 2. It is a metabolite of alpha-methylstyrene (AMS), a volatile hydrocarbon. It has a role as a human xenobiotic metabolite. It derives from a phenylacetic acid.

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

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

InChI: InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 1.9