Molecule ID: 6946312

IUPAC Name: 3-methylbenzoate

Description: The molecule is a toluate that is the conjugate base of m-toluic acid. It has a role as a human xenobiotic metabolite. It is a conjugate base of a m-toluic acid.

SMILES: Cc1cccc(C(=O)[O-])c1

SELFIES: [C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]

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

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 3.0