Molecule ID: 4740700

IUPAC Name: 3-phenylpropanoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of 3-phenylpropionic acid, obtained by deprotonation of the carboxy group. It has a role as a human metabolite and a plant metabolite. It is a conjugate base of a 3-phenylpropionic acid.

SMILES: O=C([O-])CCc1ccccc1

SELFIES: [O][=C][Branch1][C][O-1][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)/p-1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 2.5