CHEBI:173676 - Butyl acetoacetate

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ChEBI Name Butyl acetoacetate
ChEBI ID CHEBI:173676
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C8H14O3
Net Charge 0
Average Mass 158.197
Monoisotopic Mass 158.09429
InChI InChI=1S/C8H14O3/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3
InChIKey REIYHFWZISXFKU-UHFFFAOYSA-N
SMILES O(CCCC)C(=O)CC(=O)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Butyl acetoacetate (CHEBI:173676) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name
butyl 3-oxobutanoate
Manual Xrefs Databases
11088 ChemSpider
HMDB0040447 HMDB
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Registry Number Type Source
591-60-6 CAS Registry Number ChemIDplus