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ChEBI
> Main
CHEBI:77894 -
aci
-nitroethane
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ChEBI Ontology
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ChEBI Name
aci
-nitroethane
ChEBI ID
CHEBI:77894
ChEBI ASCII Name
aci-nitroethane
Definition
An
aci
-nitro compound that is the predominant form of ethylnitronate at pH 7.3 (according to Marvin v 6.2.0.).
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
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Formula
C2H5NO2
Net Charge
0
Average Mass
75.06660
Monoisotopic Mass
75.03203
InChI
InChI=1S/C2H5NO2/c1-2-3(4)5/h2H,1H3,(H,4,5)
InChIKey
CPZLOQHKKRZRSD-UHFFFAOYSA-N
SMILES
C\C=[N+](\O)[O-]
ChEBI Ontology
Outgoing
aci
-nitroethane (
CHEBI:77894
)
is a
aci
-nitro compound (
CHEBI:136622
)
aci
-nitroethane (
CHEBI:77894
)
is conjugate acid of
aci
-nitroethane(1−) (
CHEBI:55327
)
aci
-nitroethane (
CHEBI:77894
)
is tautomer of
nitroethane (
CHEBI:16268
)
Incoming
aci
-nitroethane(1−) (
CHEBI:55327
)
is conjugate base of
aci
-nitroethane (
CHEBI:77894
)
nitroethane (
CHEBI:16268
)
is tautomer of
aci
-nitroethane (
CHEBI:77894
)
IUPAC Name
ethylideneazinic acid
Synonyms
Sources
ethylnitronate
UniProt
ethylnitronate ylide
ChEBI
Last Modified
22 March 2017