CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White gas with a pungent odor; [Fairfield MSDS] |
|---|---|
| Kovats Retention Index | 392 |
| Chemical Classes | Nitrogen Compounds -> Nitriles |
COMPUTED DESCRIPTORS
| Molecular Weight | 111.48 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 110.9687330 g/mol |
| Monoisotopic Mass | 110.9687330 g/mol |
| Topological Polar Surface Area | 23.8 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 91 |
| 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 |