Molecule ID: 7418

IUPAC Name: 3-methylbenzoic acid

Description: The molecule is a methylbenzoic acid carrying a methyl substituent at position 3. It has a role as a human xenobiotic metabolite. It is a conjugate acid of a m-toluate.

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

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

InChI: InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 2.4