Molecular properties
- Formula
- C9H8O3
- Molar mass
- 164.16 g·mol−1
- Exact mass
- 164.0473 Da
- 6
- PubChem CID
- 11470
Molecule record
4-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
- 209-588-5
- 4'-Acetophenonecarboxylic Acid
- 4-Acetyl-benzoic acid
- 4-Acetylbenzoci acid
- 4-Acetylbenzoic acid, 98%
- 4-Acetylbenzoicacid
- 4-acetylbezoic acid
- 586-89-0
Show all 24 synonyms
- AE-562/42531783
- AKOS005207115
- AM20061140
- Benzoic acid, 4-acetyl-
- DTXCID30129814
- DTXSID30207323
- EINECS 209-588-5
- EN300-31858
- GS-3274
- Ibuprofen Impurity 35
- MFCD00002561
- NSC16644
- RefChem:97640
- SCHEMBL211540
- Z335574216
- p-acetylbenzoic acid
Structure identifiers
- Canonical SMILES
- CC(=O)c1ccc(C(=O)O)cc1
- Isomeric SMILES
- CC(=O)C1=CC=C(C=C1)C(=O)O
- InChI
- InChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)
- InChIKey
- QBHDSQZASIBAAI-UHFFFAOYSA-N
- PubChem CID
- 11470
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 4-acetylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-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.