CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Phenestrin is a white powder. (NTP, 1992) |
|---|---|
| Color/Form | Crystals |
| Melting Point | 194 to 195 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 68.9 °F (NTP, 1992) |
| Optical Rotation | Specific optical rotation for D (sodium) line = -13.7 deg |
| Decomposition | When heated to decomposition it emits very toxic fumes of /hydrogen chloride & nitric oxides/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 644.8 g/mol |
|---|---|
| XLogP3 | 12 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 14 |
| Exact Mass | 643.3922855 g/mol |
| Monoisotopic Mass | 643.3922855 g/mol |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 969 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Phenestrin is a white powder. (NTP, 1992)