Molecule ID: 12121

IUPAC Name: 2-(3-methylphenyl)acetic acid

Description: The molecule is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-methylphenyl group. It has a role as a fungal xenobiotic metabolite. It is a monocarboxylic acid and a member of benzenes. It derives from an acetic acid.

SMILES: Cc1cccc(CC(=O)O)c1

SELFIES: [C][C][=C][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring1][#Branch2]

InChI: InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

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