Benzoylacetonitrile (C9H7NO)

Benzoylacetonitrile presents a C9 framework, aromatic rings, basic nitrogen (formula C9H7NO, CAS 614-16-4). ChemicalTool Reaction can propose ranked disconnections for Benzoylacetonitrile from the SMILES N#CCC(=O)c1ccccc1.

Target: Benzoylacetonitrile
CAS: 614-16-4
Formula: C9H7NO
Approx. MW: 145.16
SMILES: N#CCC(=O)c1ccccc1
PubChem CID: 64799
Approx. carbons: C9

Benzoylacetonitrile structure

Properties

IUPAC name: 3-oxo-3-phenylpropanenitrile
Common names: Benzoylacetonitrile; 614-16-4; 3-Oxo-3-phenylpropanenitrile; 2-Cyanoacetophenone; Phenacyl cyanide; Cyanomethyl phenyl ketone; Acetonitrile, benzoyl-; Cyanoacetophenone; 3-Phenyl-3-ketopropionitrile; 2-Cyanoacetyl phenone
Molecular weight: 145.16
Exact mass: 145.05
InChIKey: ZJRCIQAMTAINCB-UHFFFAOYSA-N

View on PubChem

Benzoylacetonitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Benzoylacetonitrile?

Benzoylacetonitrile has molecular formula C9H7NO. Molecular weight about 145.16 g·mol⁻¹.

What is the CAS number of Benzoylacetonitrile?

The CAS Registry Number for Benzoylacetonitrile is 614-16-4.

Run AI retrosynthesis for Benzoylacetonitrile Target catalog AI tools overview

Open the planner with Benzoylacetonitrile preloaded, then keep routes that match CAS 614-16-4.

Related targets

Similar compounds

(S)-adrenaline 1,2,3,4-tetrahydroquinoline 2-Amino-6-Ethoxybenzothiazole 2-Isopropylaniline 2-Methoxyphenethylamine 2-Phenylpropionitrile

Browse the full target catalog

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.