CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Orthrhombic from petroleum |
|---|---|
| Boiling Point | BP: 150 °C at 0.01 mm Hg |
| Melting Point | 66 °C |
| Collision Cross Section | 164.1 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
COMPUTED DESCRIPTORS
| Molecular Weight | 251.4 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 251.167399674 g/mol |
| Monoisotopic Mass | 251.167399674 g/mol |
| Topological Polar Surface Area | 12 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 232 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |