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CHEBI:51855 - benzoylacetonitrile

ChEBI IDCHEBI:51855
ChEBI Namebenzoylacetonitrile
Stars
Last Modified7 November 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC9H7NO
Net Charge0
Average Mass145.161
Monoisotopic Mass145.05276
SMILESN#CCC(=O)c1ccccc1
InChIInChI=1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2
InChIKeyZJRCIQAMTAINCB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
benzoylacetonitrile (CHEBI:51855) has functional parent benzoic acid (CHEBI:30746)
benzoylacetonitrile (CHEBI:51855) is a aromatic ketone (CHEBI:76224)
benzoylacetonitrile (CHEBI:51855) is a β-ketonitrile (CHEBI:51854)
IUPAC Name 
3-oxo-3-phenylpropanenitrile
Synonyms  Source
2-cyanoacetophenoneChemIDplus
3-phenyl-3-ketopropionitrileChemIDplus
cyanomethyl phenyl ketoneChemIDplus
phenacyl cyanideChemIDplus
α-cyanoacetophenoneNIST Chemistry WebBook
β-oxobenzenepropanenitrileNIST Chemistry WebBook
Registry NumbersSources
Beilstein:386745Beilstein
CAS:614-16-4ChemIDplus
CAS:614-16-4NIST Chemistry WebBook