Molecule ID: 4409936

IUPAC Name: 2-phenylacetate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of phenylacetic acid. It has a role as a human metabolite, an Escherichia coli metabolite, a plant metabolite and a Saccharomyces cerevisiae metabolite. It derives from an acetate. It is a conjugate base of a phenylacetic acid.

SMILES: O=C([O-])Cc1ccccc1

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

InChI: InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 2.1