Molecular properties
- Formula
- C9H7NO
- Molar mass
- 145.16 g·mol−1
- Exact mass
- 145.0528 Da
- 7
- PubChem CID
- 74044
Molecule record
4-acetylbenzonitrile
C9H7NO
145.16 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Ketone
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-Acetyl-4-benzonitrile
- 1443-80-7
- 215-885-0
- 4'-Cyanoacetophenone
- 4-AcetYl-Benzonitrile
- 4-Acetylbenzonitrile, 99%
- 4-Cyano acetophenone
- 4-Cyanophenyl methyl ketone
Show all 24 synonyms
- 4-acetylbenzenecarbonitrile
- 4-acetylbenznitrile
- AE-562/40237167
- Benzonitrile, 4-acetyl-
- Benzonitrile, p-acetyl-
- DTXCID6085159
- DTXSID10162668
- EINECS 215-885-0
- InChI=1/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H
- MFCD00001825
- NLPHXWGWBKZSJC-UHFFFAOYSA-N
- P-CYANOACETOPHENONE
- Paracyanoacetophenone
- RefChem:95950
- p-Acetylbenzonitrile
- para-cyanoacetophenone
Structure identifiers
- Canonical SMILES
- CC(=O)c1ccc(C#N)cc1
- Isomeric SMILES
- CC(=O)C1=CC=C(C=C1)C#N
- InChI
- InChI=1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3
- InChIKey
- NLPHXWGWBKZSJC-UHFFFAOYSA-N
- PubChem CID
- 74044
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-acetylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-acetylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.