Molecular properties
- Formula
- C9H7NO
- Molar mass
- 145.16 g·mol−1
- Exact mass
- 145.0528 Da
- 7
- PubChem CID
- 64799
Molecule record
3-oxo-3-phenylpropanenitrile
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
- 2-Cyanoacetophenone
- 2-Cyanoacetyl phenone
- 210-369-1
- 3-Phenyl-3-ketopropionitrile
- 3-oxo-3-phenyl-propanenitrile
- 614-16-4
- AFI9JB57H3
- Acetonitrile, benzoyl-
Show all 24 synonyms
- Acetophenone, 2-cyano-
- Benzenepropanenitrile, beta-oxo-
- Benzoyl acetonitrile
- Benzoylacetonitrile
- CHEBI:51855
- Cyanoacetophenone
- Cyanomethyl phenyl ketone
- DTXCID8043020
- DTXSID7060629
- Hydrocinnamonitrile, beta-oxo-
- NSC-4713
- Phenacyl cyanide
- RefChem:566472
- alpha-Cyanoacetophenone
- beta-oxobenzenepropanenitrile
- omega-Cyanoacetophenone
Structure identifiers
- Canonical SMILES
- N#CCC(=O)c1ccccc1
- Isomeric SMILES
- C1=CC=C(C=C1)C(=O)CC#N
- InChI
- InChI=1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2
- InChIKey
- ZJRCIQAMTAINCB-UHFFFAOYSA-N
- PubChem CID
- 64799
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-oxo-3-phenylpropanenitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-oxo-3-phenylpropanenitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.