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CHEBI:51853 - benzoyl cyanide
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ChEBI Ontology
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ChEBI Name
benzoyl cyanide
ChEBI ID
CHEBI:51853
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H5NO
Net Charge
0
Average Mass
131.13144
Monoisotopic Mass
131.03711
InChI
InChI=1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H
InChIKey
GJQBHOAJJGIPRH-UHFFFAOYSA-N
SMILES
O=C(C#N)c1ccccc1
ChEBI Ontology
Outgoing
benzoyl cyanide (
CHEBI:51853
)
has functional parent
benzoic acid (
CHEBI:30746
)
benzoyl cyanide (
CHEBI:51853
)
is a
α-ketonitrile (
CHEBI:51852
)
benzoyl cyanide (
CHEBI:51853
)
is a
aromatic ketone (
CHEBI:76224
)
IUPAC Name
oxo(phenyl)acetonitrile
Synonyms
Sources
α-oxo-α-tolunitrile
NIST Chemistry WebBook
α-Oxobenzeneacetonitrile
NIST Chemistry WebBook
benzoyl cyanide
UniProt
Benzoyl nitrile
ChemIDplus
Oxo(phenyl)acetonitrile
NIST Chemistry WebBook
Phenylglyoxylonitrile
ChemIDplus
Registry Numbers
Types
Sources
1072101
Beilstein Registry Number
Beilstein
613-90-1
CAS Registry Number
NIST Chemistry WebBook
613-90-1
CAS Registry Number
ChemIDplus
Last Modified
19 July 2016