CHEBI:14750 - acetylacetone

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ChEBI Name acetylacetone ChEBI ID CHEBI:14750 Definition A β-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C5H8O2 Net Charge 0 Average Mass 100.11582 Monoisotopic Mass 100.05243 InChI InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3 InChIKey YRKCREAYFQTBPV-UHFFFAOYSA-N SMILES CC(=O)CC(C)=O ChEBI Ontology Outgoing acetylacetone (CHEBI:14750) is a β-diketone (CHEBI:67265) acetylacetone (CHEBI:14750) is conjugate acid of acetylacetonate (CHEBI:30395) Incoming acetylacetonate (CHEBI:30395) is conjugate base of acetylacetone (CHEBI:14750) IUPAC Name pentane-2,4-dione Synonyms Sources 2,4-dioxopentane ChemIDplus 2,4-Dioxopentane KEGG COMPOUND 2,4-pentadione NIST Chemistry WebBook 2,4-pentanedione ChemIDplus ACAC NIST Chemistry WebBook acetoacetone ChemIDplus acetyl 2-propanone ChemIDplus acetylacetone IUPAC acetylacetone UniProt Acetylacetone KEGG COMPOUND CH3‒CO‒CH2‒CO‒CH3 IUPAC Hacac IUPAC pentan-2,4-dione NIST Chemistry WebBook Manual Xrefs Databases Acetylacetone Wikipedia C15499 KEGG COMPOUND CPD-8879 MetaCyc HMDB0031648 HMDB View more database links Registry Numbers Types Sources 123-54-6 CAS Registry Number ChemIDplus 123-54-6 CAS Registry Number NIST Chemistry WebBook 2537 Gmelin Registry Number Gmelin 741937 Reaxys Registry Number Reaxys 741937 Beilstein Registry Number Beilstein Citation Type Source 24445259 PubMed citation Europe PMC Last Modified 12 August 2015