MetaADEDB 2.0 @ LMMD
phenylacetaldehyde
(DTUQWGWMVIHBKE-UHFFFAOYSA-N)
Structure
SMILES
O=CCc1ccccc1
Type(s)
Experimental
Molecular Formula:
C8H8O
Molecular Weight:
120.149
Log P:
1.4280
Hydrogen Bond Acceptor:
1
Hydrogen Bond Donor:
0
TPSA:
17.07
CAS Number(s):
122-78-1
Synonym(s)
1.
phenylacetaldehyde
External Link(s)
MeSHC013192
PubChem Compound998
ChEBI16424
CHEMBLCHEMBL1233464
DrugBankDB02178
KEGGcpd:C00601
ZINC895323
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Dermatitis, Allergic Contact26795242CTD
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