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> Main
CHEBI:17610 - 3-nitroacrylic acid
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ChEBI Name
3-nitroacrylic acid
ChEBI ID
CHEBI:17610
Definition
An α,β-unsaturated monocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is replaced by a nitro group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11863, CHEBI:20144, CHEBI:1610
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Formula
C3H3NO4
Net Charge
0
Average Mass
117.06020
Monoisotopic Mass
117.00621
InChI
InChI=1S/C3H3NO4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)/b2-1+
InChIKey
MBNRADMGBBUWJK-OWOJBTEDSA-N
SMILES
OC(=O)\C=C\[N+]([O-])=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-nitroacrylic acid (
CHEBI:17610
)
has functional parent
acrylic acid (
CHEBI:18308
)
3-nitroacrylic acid (
CHEBI:17610
)
is a
α,β-unsaturated monocarboxylic acid (
CHEBI:79020
)
3-nitroacrylic acid (
CHEBI:17610
)
is conjugate acid of
3-nitroacrylate (
CHEBI:58205
)
Incoming
3-nitroacrylate (
CHEBI:58205
)
is conjugate base of
3-nitroacrylic acid (
CHEBI:17610
)
IUPAC Name
3-nitroprop-2-enoic acid
Synonym
Source
3-Nitroacrylate
KEGG COMPOUND
Manual Xref
Database
C02231
KEGG COMPOUND
View more database links
Last Modified
27 June 2014