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CHEBI:76851 - isoxazolin-5-one

ChEBI IDCHEBI:76851
ChEBI Nameisoxazolin-5-one
Stars
DefinitionAn isoxazole that is 3-isoxazoline substituted at position 5 by an oxo group.
Last Modified20 January 2014
SubmitterKAX
DownloadsMolfile
FormulaC3H3NO2
Net Charge0
Average Mass85.062
Monoisotopic Mass85.01638
SMILESO=c1ccno1
InChIInChI=1S/C3H3NO2/c5-3-1-2-4-6-3/h1-2,4H
InChIKeyHZVPJXOQDCOJRJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
isoxazolin-5-one (CHEBI:76851) is a isoxazoles (CHEBI:55373)
IUPAC Name 
1,2-oxazol-5(2H)-one
Synonyms  Source
5(2H)-IsoxazoloneChemIDplus
3-isoxazolin-5-oneChEBI
UniProt Name  Source
isoxazolin-5-oneUniProt
Registry NumbersSources
Reaxys:635995Reaxys
CAS:43228-53-1ChemIDplus
Citations