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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:47841 - acetonitrile oxide
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ChEBI Ontology
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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.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
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
CH
3
‒C≡NO
ChEBI
CH
3
CNO
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
Type
Source
19580248
PubMed citation
Europe PMC
Last Modified
22 May 2014