CHEBI:47841 - acetonitrile oxide

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ChEBI Name acetonitrile oxide
ChEBI ID CHEBI:47841
Definition The nitrile oxide resulting from the oxidation of the nitrogen atom of acetonitrile.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C2H3NO
Net Charge 0
Average Mass 57.05130
Monoisotopic Mass 57.02146
InChI InChI=1S/C2H3NO/c1-2-3-4/h1H3
InChIKey PFCUZDIEKKTHCH-UHFFFAOYSA-N
SMILES CC#[N+][O-]
ChEBI Ontology
Outgoing acetonitrile oxide (CHEBI:47841) has functional parent acetonitrile (CHEBI:38472)
acetonitrile oxide (CHEBI:47841) is a nitrile oxide (CHEBI:47838)
IUPAC Name
acetonitrile oxide
Synonyms Sources
(ethylidyneazaniumyl)oxidanide IUPAC
acetonitrile N-oxide ChEBI
CH3‒C≡NO ChEBI
CH3CNO NIST Chemistry WebBook
ethylidyneazane oxide ChEBI
Registry Numbers Types Sources
605329 Reaxys Registry Number Reaxys
605329 Beilstein Registry Number Beilstein
7063-95-8 CAS Registry Number NIST Chemistry WebBook
Citation Waiting for Citations Type Source
19580248 PubMed citation Europe PMC
Last Modified
22 May 2014