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CHEBI:87544 - 2-acetoxypropanal

ChEBI IDCHEBI:87544
ChEBI Name2-acetoxypropanal
Stars
DefinitionAn aldehyde that is propanal substituted by an acetoxy group at position 2.
Last Modified18 August 2015
Submitternamrata
DownloadsMolfile
FormulaC5H8O3
Net Charge0
Average Mass116.116
Monoisotopic Mass116.04734
SMILES[H]C(=O)C(C)OC(C)=O
InChIInChI=1S/C5H8O3/c1-4(3-6)8-5(2)7/h3-4H,1-2H3
InChIKeyFXPPNKAYSGWCQG-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2-acetoxypropanal (CHEBI:87544) has role metabolite (CHEBI:25212)
2-acetoxypropanal (CHEBI:87544) is a acetate ester (CHEBI:47622)
2-acetoxypropanal (CHEBI:87544) is a aldehyde (CHEBI:17478)
IUPAC Name 
1-oxopropan-2-yl acetate
Synonyms  Source
α-acetoxypropionaldehydeChEBI
1-formylethyl acetateChemIDplus
Manual XrefsDatabases
EP0103891Patent
Registry NumbersSources
Reaxys:1701193Reaxys
CAS:22094-23-1ChemIDplus
CAS:22094-23-1NIST Chemistry WebBook