Molecular properties
- Formula
- C8H5NO2
- Molar mass
- 147.13 g·mol−1
- Exact mass
- 147.0320 Da
- 7
- PubChem CID
- 12087
Molecule record
4-cyanobenzoic acid
C8H5NO2
147.13 g/mol
Loading structure
Functional groups
Aromatic ring
Carboxylic acid
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 210-606-9
- 4-Carboxybenzonitrile
- 4-Cyano-benzoic acid
- 4-Cyanobenzoic acid (3)
- 4-Cyanobenzoic acid, 99%
- 50Z9A3423Z
- 619-65-8
- Benzoic acid, 4-cyano-
Show all 24 synonyms
- Benzoic acid, p-cyano-
- Benzoicacid, 4-cyano-
- CHEMBL101772
- CYANOBENZOIC ACID, 4-
- CYANOBENZOIC ACID, P-
- DTXCID7021659
- DTXSID9041659
- MFCD00002528
- NSC-6306
- RefChem:522244
- SCHEMBL216706
- Terephthalic acid mononitrile
- Terephthalic mononitrile
- p-Carboxybenzonitrile
- p-Cyanobenzoic Acid; 4-Carboxybenzonitrile; NSC 6306; p-Carboxybenzonitrile; p-Cyanobenzoic Acid;
- p-Cyanobenzoic acid
Structure identifiers
- Canonical SMILES
- N#Cc1ccc(C(=O)O)cc1
- Isomeric SMILES
- C1=CC(=CC=C1C#N)C(=O)O
- InChI
- InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)
- InChIKey
- ADCUEPOHPCPMCE-UHFFFAOYSA-N
- PubChem CID
- 12087
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-cyanobenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-cyanobenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.