CHEBI:52052 - phenylacetone

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ChEBI Name phenylacetone
ChEBI ID CHEBI:52052
Definition A propanone that is propan-2-one substituted by a phenyl group at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
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Formula C9H10O
Net Charge 0
Average Mass 134.17510
Monoisotopic Mass 134.073
InChI InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey QCCDLTOVEPVEJK-UHFFFAOYSA-N
SMILES CC(=O)Cc1ccccc1
ChEBI Ontology
Outgoing phenylacetone (CHEBI:52052) is a methyl ketone (CHEBI:51867)
phenylacetone (CHEBI:52052) is a propanones (CHEBI:26292)
IUPAC Name
1-phenylpropan-2-one
Synonyms Sources
1-Phenyl-2-propanone SUBMITTER
1-Phenyl-2-propanone KEGG COMPOUND
3-Phenyl-2-propanone ChemIDplus
Benzyl methyl ketone ChemIDplus
Methyl benzyl ketone ChemIDplus
Phenyl-2-propanone ChemIDplus
phenylacetone UniProt
Phenylacetone SUBMITTER
Phenylmethyl methyl ketone ChemIDplus
Database Links Databases
C15512 KEGG COMPOUND
CPD-7233 MetaCyc
Phenylacetone Wikipedia
View more database links
Registry Numbers Types Sources
103-79-7 CAS Registry Number ChemIDplus
103-79-7 CAS Registry Number SUBMITTER
103-79-7 CAS Registry Number NIST Chemistry WebBook
742120 Reaxys Registry Number Reaxys
742120 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
9682156 PubMed citation Europe PMC
Last Modified
22 July 2015