CHEBI:17610 - 3-nitroacrylic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 (Bronsted 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