CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Melting point = 54-57 deg C; [Aldrich MSDS] |
|---|---|
| Kovats Retention Index | 1189 1179 1205 1217 1179 |
| Chemical Classes | Other Classes -> Aliphatics, Unsaturated |
COMPUTED DESCRIPTORS
| Molecular Weight | 132.20 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 132.093900383 g/mol |
| Monoisotopic Mass | 132.093900383 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 172 |
| 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 |