CHEBI:51855 - benzoylacetonitrile

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ChEBI Name benzoylacetonitrile ChEBI ID CHEBI:51855 Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H7NO Net Charge 0 Average Mass 145.15802 Monoisotopic Mass 145.05276 InChI InChI=1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2 InChIKey ZJRCIQAMTAINCB-UHFFFAOYSA-N SMILES O=C(CC#N)c1ccccc1 ChEBI Ontology Outgoing benzoylacetonitrile (CHEBI:51855) has functional parent benzoic acid (CHEBI:30746) benzoylacetonitrile (CHEBI:51855) is a β-ketonitrile (CHEBI:51854) benzoylacetonitrile (CHEBI:51855) is a aromatic ketone (CHEBI:76224) IUPAC Name 3-oxo-3-phenylpropanenitrile Synonyms Sources 2-cyanoacetophenone ChemIDplus 3-phenyl-3-ketopropionitrile ChemIDplus α-cyanoacetophenone NIST Chemistry WebBook β-oxobenzenepropanenitrile NIST Chemistry WebBook β-oxohydrocinnamonitrile NIST Chemistry WebBook cyanomethyl phenyl ketone ChemIDplus ω-cyanoacetophenone NIST Chemistry WebBook phenacyl cyanide ChemIDplus Registry Numbers Types Sources 386745 Beilstein Registry Number Beilstein 614-16-4 CAS Registry Number NIST Chemistry WebBook 614-16-4 CAS Registry Number ChemIDplus Last Modified 07 November 2013