CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; [MSDSonline] |
|---|---|
| Kovats Retention Index | 237.44 |
| Chemical Classes | Nitrogen Compounds -> Nitriles |
COMPUTED DESCRIPTORS
| Molecular Weight | 167.29 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 8 |
| Exact Mass | 167.167399674 g/mol |
| Monoisotopic Mass | 167.167399674 g/mol |
| Topological Polar Surface Area | 23.8 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 120 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |