MetaADEDB 2.0 @ LMMD
benzoylacetone
(CVBUKMMMRLOKQR-UHFFFAOYSA-N)
Structure
SMILES
O=C(c1ccccc1)CC(=O)C
Molecular Formula:
C10H10O2
Molecular Weight:
162.185
Log P:
1.8484
Hydrogen Bond Acceptor:
2
Hydrogen Bond Donor:
0
TPSA:
34.14
CAS Number(s):
93-91-4
Synonym(s)
1.
benzoylacetone
2.
1-phenyl-1,3-butanedione
External Link(s)
MeSHC035851
PubChem Compound7166
CHEMBLCHEMBL3186793
ZINC100006468
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Dermatitis, Allergic Contact26795242CTD
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