Molecule ID: 7139

IUPAC Name: 2-(3,4-dimethoxyphenyl)acetic acid

Description: The molecule is a phenylacetic acid substituted at positions 3 and 4 by methoxy groups. It has a role as a human urinary metabolite and a human xenobiotic metabolite. It is a dimethoxybenzene and a member of phenylacetic acids.

SMILES: COc1ccc(CC(=O)O)cc1OC

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

InChI: InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 1.0