CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | CRYSTALS FROM ETHER |
|---|---|
| Melting Point | 97-98 °C |
| Kovats Retention Index | 1395 1405 |
COMPUTED DESCRIPTORS
| Molecular Weight | 171.19 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 171.08954328 g/mol |
| Monoisotopic Mass | 171.08954328 g/mol |
| Topological Polar Surface Area | 55.4 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 208 |
| 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 |
PRODUCT INTRODUCTION
description
Diethadione is an oxazinane.