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CHEBI:173928 - Benzyl acetoacetate

ChEBI IDCHEBI:173928
ChEBI NameBenzyl acetoacetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O3
Net Charge0
Average Mass192.214
Monoisotopic Mass192.07864
SMILESCC(=O)CC(=O)OCc1ccccc1
InChIInChI=1S/C11H12O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyWOFAGNLBCJWEOE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Benzyl acetoacetate (CHEBI:173928) has functional parent benzyl alcohol (CHEBI:17987)
Benzyl acetoacetate (CHEBI:173928) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
benzyl 3-oxobutanoate
Manual XrefsDatabases
125497ChemSpider
HMDB0040446HMDB
Registry NumbersSources
CAS:5396-89-4ChemIDplus