loading...| Preferred Name |
acetophenone |
|
| Synonyms |
Acetophenone 1-phenylethan-1-one acetophenone 1-phenylethanone Phenyl methyl ketone 1-Phenylethanone Acetylbenzene benzoyl methide Methyl phenyl ketone |
|
| Definitions |
A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_27632 |
|
| charge |
0 |
|
| database_cross_reference |
KNApSAcK:C00002685 Wikipedia:Acetophenone KEGG:C07113 UM-BBD_compID:c0117 PMID:10397882 PMID:24634568 HMDB:HMDB0033910 DrugBank:DB04619 CAS:98-86-2 |
|
| definition |
A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. |
|
| formula |
C8H8O |
|
| has_alternative_id |
CHEBI:40490 CHEBI:22186 CHEBI:2403 |
|
| has_exact_synonym |
Acetophenone 1-phenylethan-1-one acetophenone |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
1-phenylethanone Phenyl methyl ketone 1-Phenylethanone Acetylbenzene benzoyl methide Methyl phenyl ketone |
|
| id |
CHEBI:27632 |
|
| in_subset | ||
| inchi |
InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 |
|
| inchikey |
KWOLFJPFCHCOCG-UHFFFAOYSA-N |
|
| label |
acetophenone |
|
| mass |
120.14852 |
|
| monoisotopicmass |
120.05751 |
|
| notation |
CHEBI:27632 |
|
| prefLabel |
acetophenone |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_47868 |
|
| smiles |
CC(=O)c1ccccc1 |
|
| subClassOf |