2-Benzoylvaleronitrile
2-benzoylpentanenitrile
Also Known As: 2-Benzoylvaleronitrile|2-benzoylpentanenitrile|1-Benzoyl-1-cyan-butan|Benzenepropanenitrile, b-oxo-a-propyl-|alpha-Propyl-beta-oxobenzenepropanenitrile|J1.595.212A
CAS: 1780-48-9
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.09972 g/mol |
| LogP | 2.80918 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.09972 |
| Monoisotopic Mass | 187.09972 |
| Heavy Atoms | 14 |
| Complexity | 337.08942 |
Chemical Identifiers
| CAS Number | 1780-48-9 |
|---|---|
| SMILES | CCCC(C#N)C(=O)C1=CC=CC=C1 |
Product Overview
2-Benzoylvaleronitrile (CAS 1780-48-9), with molecular formula C12H13NO and molecular weight 187.09972 g/mol. IUPAC: 2-benzoylpentanenitrile.
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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