3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile
3-(4-methylphenyl)-3-oxo-2-phenylpropanenitrile
Also Known As: Oprea1_393461|3-(4-methylphenyl)-3-oxo-2-phenylpropanenitrile|alpha-Phenyl-beta-oxo-4-methylbenzenepropanenitrile|J1.557.126H
CAS: 25124-92-9
| Molecular Formula | C16H13NO |
|---|---|
| Molecular Weight | 235.09972 g/mol |
| LogP | 3.4851 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.09972 |
| Monoisotopic Mass | 235.09972 |
| Heavy Atoms | 18 |
| Complexity | 578.7441 |
Chemical Identifiers
| CAS Number | 25124-92-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C(C#N)C2=CC=CC=C2 |
Product Overview
3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile (CAS 25124-92-9), with molecular formula C16H13NO and molecular weight 235.09972 g/mol. IUPAC: 3-(4-methylphenyl)-3-oxo-2-phenylpropanenitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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