4-(2-Oxopropyl)benzonitrile
4-(2-oxopropyl)benzonitrile
Also Known As: 4-(2-oxopropyl)benzonitrile|4-Cyanophenylacetone|4-(2-oxo-propyl)-benzonitrile|4-acetonylbenzonitrile|a-Tolunitrile, a-acetyl-|4-(2-oxopropyl) benzonitrile|4-(2'-Oxopropyl)benzonitrile|4-(2-Oxo-propyl)benzonitrile|1-(4-cyanophenyl)propan-2-one|Benzonitrile, 4-(2-oxopropyl)-|8757AB|Z-5238|I01-9840
CAS: 58949-75-0
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.06842 g/mol |
| LogP | 1.68978 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.06842 |
| Monoisotopic Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 318.68698 |
Chemical Identifiers
| CAS Number | 58949-75-0 |
|---|---|
| SMILES | CC(=O)CC1=CC=C(C=C1)C#N |
Product Overview
4-(2-Oxopropyl)benzonitrile (CAS 58949-75-0), with molecular formula C10H9NO and molecular weight 159.06842 g/mol. IUPAC: 4-(2-oxopropyl)benzonitrile.
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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