CHEMICAL AND PHYSICAL PROPERTIES
| Melting Point | Crystals from methanol + water. MW: 384.51. MP: approximately 126-127 °C. Spcific optical rotation: =72.5 deg at 25 °C/D (chlorform) /Ethyndiol diacetate/ |
|---|---|
| Solubility | Solubility in double-distilled water, 0.26 mg/L /Ethynodiol diacetate/ |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
COMPUTED DESCRIPTORS
| Molecular Weight | 300.4 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 300.208930132 g/mol |
| Monoisotopic Mass | 300.208930132 g/mol |
| Topological Polar Surface Area | 40.5 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 555 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| 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
Ethynodiol is a 17beta-hydroxy steroid, a 3beta-hydroxy steroid and a terminal acetylenic compound. It has a role as a progestin.