CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Needles from alcohol |
|---|---|
| Boiling Point | Sublimes |
| Melting Point | 113.5 °C |
| Solubility | Very soluble in benzene, ethanol |
| Kovats Retention Index | 265.58 |
COMPUTED DESCRIPTORS
| Molecular Weight | 409.69 g/mol |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 409.67982 g/mol |
| Monoisotopic Mass | 405.68391 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 143 |
| 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 |