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CHEBI:17610 - 3-nitroacrylic acid

ChEBI IDCHEBI:17610
ChEBI Name3-nitroacrylic acid
Stars
DefinitionAn α,β-unsaturated monocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is replaced by a nitro group.
Secondary ChEBI IDsCHEBI:1610, CHEBI:11863, CHEBI:20144
Last Modified27 June 2014
DownloadsMolfile
FormulaC3H3NO4
Net Charge0
Average Mass117.060
Monoisotopic Mass117.00621
SMILESO=C(O)/C=C/[N+](=O)[O-]
InChIInChI=1S/C3H3NO4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)/b2-1+
InChIKeyMBNRADMGBBUWJK-OWOJBTEDSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
3-nitroacrylate (CHEBI:58205) is conjugate base of 3-nitroacrylic acid (CHEBI:17610)
IUPAC Name 
3-nitroprop-2-enoic acid
Synonym  Source
3-NitroacrylateKEGG COMPOUND
Manual XrefsDatabases
C02231KEGG COMPOUND
C02231KEGG COMPOUND