4-(4,4-Dimethyl-3-oxo-1-pentenyl)benzonitrile
4-[(E)-4,4-dimethyl-3-oxopent-1-enyl]benzonitrile
Also Known As: 4-(4,4-dimethyl-3-oxopent-1-en-1-yl)benzonitrile|4-(4,4-Dimethyl-3-oxo-1-pentenyl)benzonitrile|4-(4,4-dimethyl-3-oxo-pent-1-enyl)-benzonitrile|4-[(E)-4,4-dimethyl-3-oxo-pent-1-enyl]benzonitrile|4-[(E)-4,4-dimethyl-3-oxopent-1-enyl]benzonitrile
CAS: 67962-22-5
| Molecular Formula | C14H15NO |
|---|---|
| Molecular Weight | 213.11537 g/mol |
| LogP | 3.18668 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.11537 |
| Monoisotopic Mass | 213.11537 |
| Heavy Atoms | 16 |
| Complexity | 441.10907 |
Chemical Identifiers
| CAS Number | 67962-22-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)/C=C/C1=CC=C(C=C1)C#N |
Product Overview
4-(4,4-Dimethyl-3-oxo-1-pentenyl)benzonitrile (CAS 67962-22-5), with molecular formula C14H15NO and molecular weight 213.11537 g/mol. IUPAC: 4-[(E)-4,4-dimethyl-3-oxopent-1-enyl]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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