Molecular properties
- Formula
- C9H8O3
- Molar mass
- 164.16 g·mol−1
- Exact mass
- 164.0473 Da
- 6
- PubChem CID
- 68474
Molecule record
2-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
- 2'-Acetophenonecarboxylic Acid
- 2'-carboxyacetophenone
- 2-AcetYl-Benzoic Acid
- 2-Acetylbenzoic acid, 99%
- 2-Acetylbenzoicacid
- 2-acetylbenzoate
- 209-413-2
- 577-56-0
Show all 24 synonyms
- A1BVZ
- AI3-22133
- Acetophenone-2-carboxylic acid
- Benzoic acid, 2-acetyl-
- Benzoic acid, acetyl-
- CHEMBL3629240
- DTXCID60128895
- DTXSID00206404
- EINECS 209-413-2
- MFCD00002475
- NSC 407680
- QDAWXRKTSATEOP-UHFFFAOYSA-N
- RefChem:84996
- SCHEMBL286653
- o-Acetylbenzoic acid
- o-acetyl-benzoic acid
Structure identifiers
- Canonical SMILES
- CC(=O)c1ccccc1C(=O)O
- Isomeric SMILES
- CC(=O)C1=CC=CC=C1C(=O)O
- InChI
- InChI=1S/C9H8O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3,(H,11,12)
- InChIKey
- QDAWXRKTSATEOP-UHFFFAOYSA-N
- PubChem CID
- 68474
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 2-acetylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-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.