CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Casanthranol appears as light brown or brown powder. (NTP, 1992) |
|---|---|
| Melting Point | 248 °F (decomposes) (NTP, 1992) |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
COMPUTED DESCRIPTORS
| Molecular Weight | 434.4 g/mol |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 4 |
| Exact Mass | 434.12129689 g/mol |
| Monoisotopic Mass | 434.12129689 g/mol |
| Topological Polar Surface Area | 177 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 646 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Casanthranol appears as light brown or brown powder. (NTP, 1992)