Molecular properties
- Formula
- C9H8O3
- Molar mass
- 164.16 g·mol−1
- Exact mass
- 164.0473 Da
- 6
- PubChem CID
- 220324
Molecule record
3-acetylbenzoic acid
C9H8O3
164.16 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Carboxylic acid
Ketone
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 3'-Carboxyacetophenone
- 3-(1-Oxoethyl)benzoic acid
- 3-Acetophenonecarboxylic Acid
- 3-Acetylbenzoicacid
- 3-acetyl benzoic acid
- 586-42-5
- 629-958-3
- AE-562/43460672
Show all 24 synonyms
- AMY23806
- Benzoic acid, 3-acetyl-
- CHZPJUSFUDUEMZ-UHFFFAOYSA-
- CK2180
- DTXCID30228730
- DTXSID40277572
- EN300-86148
- InChI=1/C9H8O3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3,(H,11,12)
- MFCD00045847
- NSC-2932
- NSC2932
- RefChem:92822
- STK503902
- Z1203161684
- m-Carboxyacetophenone
- m-acetylbenzoic acid
Structure identifiers
- Canonical SMILES
- CC(=O)c1cccc(C(=O)O)c1
- Isomeric SMILES
- CC(=O)C1=CC(=CC=C1)C(=O)O
- InChI
- InChI=1S/C9H8O3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3,(H,11,12)
- InChIKey
- CHZPJUSFUDUEMZ-UHFFFAOYSA-N
- PubChem CID
- 220324
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-acetylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-acetylbenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.