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CHEBI:16348 - 3-nitropropanoic acid

ChEBI IDCHEBI:16348
ChEBI Name3-nitropropanoic acid
Stars
DefinitionA C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group.
Secondary ChEBI IDsCHEBI:1611, CHEBI:10434, CHEBI:11864, CHEBI:20145, CHEBI:22852, CHEBI:28336, CHEBI:39918
Last Modified9 December 2024
DownloadsMolfile

FormulaC3H5NO4
Net Charge0
Average Mass119.076
Monoisotopic Mass119.02186
SMILESO=C(O)CC[N+](=O)[O-]
InChIInChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)
InChIKeyWBLZUCOIBUDNBV-UHFFFAOYSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
3-nitropropanoic acid
Synonyms  Source
beta-Nitropropanoic acidKEGG COMPOUND
beta-Nitropropionic acidKEGG COMPOUND
3-NITROPROPANOIC ACIDPDBeChem
3-nitropropionic acidChemIDplus
BovinocidinChemIDplus
Manual XrefsDatabases
C05669KEGG COMPOUND
3NPPDBeChem
C00018684KNApSAcK
LSM-6632LINCS
Registry NumbersSources
Beilstein:1759889Beilstein
Gmelin:533092Gmelin
CAS:504-88-1KEGG COMPOUND
CAS:504-88-1ChemIDplus
Citations