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CHEBI:51853 - benzoyl cyanide

ChEBI IDCHEBI:51853
ChEBI Namebenzoyl cyanide
Stars
Last Modified19 July 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H5NO
Net Charge0
Average Mass131.134
Monoisotopic Mass131.03711
SMILESN#CC(=O)c1ccccc1
InChIInChI=1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H
InChIKeyGJQBHOAJJGIPRH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
benzoyl cyanide (CHEBI:51853) has functional parent benzoic acid (CHEBI:30746)
benzoyl cyanide (CHEBI:51853) is a aromatic ketone (CHEBI:76224)
benzoyl cyanide (CHEBI:51853) is a α-ketonitrile (CHEBI:51852)
IUPAC Name 
oxo(phenyl)acetonitrile
Synonyms  Source
α-OxobenzeneacetonitrileNIST Chemistry WebBook
Benzoyl nitrileChemIDplus
PhenylglyoxylonitrileChemIDplus
Oxo(phenyl)acetonitrileNIST Chemistry WebBook
α-oxo-α-tolunitrileNIST Chemistry WebBook
UniProt Name  Source
benzoyl cyanideUniProt
Registry NumbersSources
Beilstein:1072101Beilstein
CAS:613-90-1ChemIDplus
CAS:613-90-1NIST Chemistry WebBook