Molecule ID: 107

IUPAC Name: 3-phenylpropanoic acid

Description: The molecule is a monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group. It has a role as an antifungal agent, a human metabolite and a plant metabolite. It is a monocarboxylic acid and a member of benzenes. It derives from a propionic acid. It is a conjugate acid of a 3-phenylpropionate.

SMILES: O=C(O)CCc1ccccc1

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

InChI: InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 1.8