CHEBI:173788 - Ethyl 2,4-dioxohexanoate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ethyl 2,4-dioxohexanoate
ChEBI ID CHEBI:173788
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C8H12O4
Net Charge 0
Average Mass 172.180
Monoisotopic Mass 172.07356
InChI InChI=1S/C8H12O4/c1-3-6(9)5-7(10)8(11)12-4-2/h3-5H2,1-2H3
InChIKey JGFBKJBAYISHAG-UHFFFAOYSA-N
SMILES O(CC)C(=O)C(=O)CC(=O)CC
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 Ethyl 2,4-dioxohexanoate (CHEBI:173788) is a 3-acylpyruvic acid (CHEBI:1447)
IUPAC Name
ethyl 2,4-dioxohexanoate
Manual Xrefs Databases
55499 ChemSpider
HMDB0034851 HMDB
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Registry Number Type Source
13246-52-1 CAS Registry Number ChemIDplus