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CHEBI:28515 - acetoacetamide

Default Structure
ChEBI IDCHEBI:28515
ChEBI Nameacetoacetamide
Stars
DefinitionA monocarboxylic acid amide of acetoacetic acid.
Secondary ChEBI IDsCHEBI:2390, CHEBI:22171
Last Modified6 February 2014
DownloadsMolfile
FormulaC4H7NO2
Net Charge0
Average Mass101.105
Monoisotopic Mass101.04768
SMILESCC(=O)CC(N)=O
InChIInChI=1S/C4H7NO2/c1-3(6)2-4(5)7/h2H2,1H3,(H2,5,7)
InChIKeyGCPWJFKTWGFEHH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
acetoacetamide (CHEBI:28515) has functional parent acetoacetic acid (CHEBI:15344)
acetoacetamide (CHEBI:28515) is a monocarboxylic acid amide (CHEBI:29347)
IUPAC Name 
3-oxobutanamide
Synonyms  Source
AAAKEGG COMPOUND
AcetoacetamideKEGG COMPOUND
acetoacetic acid amideChemIDplus
acetylacetamideChemIDplus
Manual XrefsDatabases
C11106KEGG COMPOUND
EP0556275Patent
WO9206950Patent
Registry NumbersSources
Reaxys:1560550Reaxys
CAS:5977-14-0KEGG COMPOUND
CAS:5977-14-0ChemIDplus
Citations