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CHEBI:27632 - acetophenone

ChEBI IDCHEBI:27632
ChEBI Nameacetophenone
Stars
DefinitionA methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group.
Secondary ChEBI IDsCHEBI:2403, CHEBI:22186, CHEBI:40490
Last Modified8 July 2022
DownloadsMolfile

FormulaC8H8O
Net Charge0
Average Mass120.151
Monoisotopic Mass120.05751
SMILESCC(=O)c1ccccc1
InChIInChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyKWOLFJPFCHCOCG-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
1-phenylethan-1-one
Synonyms  Source
AcetophenoneKEGG COMPOUND
1-PhenylethanoneKEGG COMPOUND
Phenyl methyl ketoneKEGG COMPOUND
AcetylbenzeneKEGG COMPOUND
Methyl phenyl ketoneKEGG COMPOUND
1-phenylethanoneChEBI
UniProt Name  Source
acetophenoneUniProt
Manual XrefsDatabases
C07113KEGG COMPOUND
C07113KEGG COMPOUND
c0117UM-BBD
DB04619DrugBank
HMDB0033910HMDB
AcetophenoneWikipedia
C00002685KNApSAcK
Registry NumbersSources
CAS:98-86-2KEGG COMPOUND
CAS:98-86-2ChemIDplus
CAS:98-86-2NIST Chemistry WebBook
Citations