CHEBI:173422 - Acetoxyacetone

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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 Acetoxyacetone
ChEBI ID CHEBI:173422
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C5H8O3
Net Charge 0
Average Mass 116.116
Monoisotopic Mass 116.04734
InChI InChI=1S/C5H8O3/c1-4(6)3-8-5(2)7/h3H2,1-2H3
InChIKey DBERHVIZRVGDFO-UHFFFAOYSA-N
SMILES O(CC(=O)C)C(=O)C
ChEBI Ontology
Outgoing Acetoxyacetone (CHEBI:173422) is a carboxylic ester (CHEBI:33308)
Acetoxyacetone (CHEBI:173422) is a ketone (CHEBI:17087)
IUPAC Name
2-oxopropyl acetate
Manual Xrefs Databases
11105 ChemSpider
HMDB0034466 HMDB
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Registry Number Type Source
592-20-1 CAS Registry Number ChemIDplus