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CHEBI:173676 - Butyl acetoacetate

ChEBI IDCHEBI:173676
ChEBI NameButyl acetoacetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H14O3
Net Charge0
Average Mass158.197
Monoisotopic Mass158.09429
SMILESCCCCOC(=O)CC(C)=O
InChIInChI=1S/C8H14O3/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3
InChIKeyREIYHFWZISXFKU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Butyl acetoacetate (CHEBI:173676) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
butyl 3-oxobutanoate
Manual XrefsDatabases
11088ChemSpider
HMDB0040447HMDB
Registry NumbersSources
CAS:591-60-6ChemIDplus