CHEBI:48060 - butyn-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name butyn-2-one
ChEBI ID CHEBI:48060
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C4H4O
Net Charge 0
Average Mass 68.07396
Monoisotopic Mass 68.02621
InChI InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3
InChIKey XRGPFNGLRSIPSA-UHFFFAOYSA-N
SMILES CC(=O)C#C
ChEBI Ontology
Outgoing butyn-2-one (CHEBI:48060) has functional parent butan-2-one (CHEBI:28398)
butyn-2-one (CHEBI:48060) is a methyl ketone (CHEBI:51867)
butyn-2-one (CHEBI:48060) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name
but-3-yn-2-one
Synonyms Sources
1-butyn-3-one NIST Chemistry WebBook
acetylacetylene NIST Chemistry WebBook
acetylethyne NIST Chemistry WebBook
CH3COC≡CH NIST Chemistry WebBook
ethynyl methyl ketone NIST Chemistry WebBook
methyl ethynyl ketone NIST Chemistry WebBook
Registry Numbers Types Sources
1423-60-5 CAS Registry Number ChemIDplus
1423-60-5 CAS Registry Number NIST Chemistry WebBook
49292 Gmelin Registry Number Gmelin
605353 Beilstein Registry Number Beilstein
Last Modified
02 May 2013