Molecular properties
- Formula
- C8H8O2
- Molar mass
- 136.15 g·mol−1
- Exact mass
- 136.0524 Da
- 5
- PubChem CID
- 7418
Molecule record
3-methylbenzoic acid
C8H8O2
136.15 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Carboxylic acid
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1UA7K8EEXT
- 202-723-9
- 3-Methyl-Benzoic Acid
- 3-Toluic acid
- 3-methyl-benzoate
- 3-toluic acid, cadmium salt
- 99-04-7
- BENZOIC ACID,3-METHYL
Show all 24 synonyms
- Benzoic acid, 3-methyl-
- CHEBI:10589
- DTXCID401617
- DTXSID1021617
- M-TOLUIC ACID
- M-TOLUIC ACID [MI]
- MFCD00002523
- NCIOpen2_000993
- NSC-2214
- RefChem:800396
- b-Bethylbenzoate
- beta-Bethylbenzoic acid
- beta-Methylbenzoic acid
- m-Methylbenzoic acid
- m-Toluylic acid
- meta-Toluic acid
Structure identifiers
- Canonical SMILES
- Cc1cccc(C(=O)O)c1
- Isomeric SMILES
- CC1=CC(=CC=C1)C(=O)O
- InChI
- InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
- InChIKey
- GPSDUZXPYCFOSQ-UHFFFAOYSA-N
- PubChem CID
- 7418
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 3-methylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-methylbenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.