CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | MINUTE NEEDLES FROM DILUTE ALC |
|---|---|
| Odor | Odorless |
| Melting Point | 233-234 |
| Solubility | 3 mg/L (at 37 °C) |
| LogP | 5.9 |
| LogS | -4.95 |
| Stability/Shelf Life | Sensitive to light |
| Collision Cross Section | 153.2 Ų [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
COMPUTED DESCRIPTORS
| Molecular Weight | 266.3 g/mol |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 266.130679813 g/mol |
| Monoisotopic Mass | 266.130679813 g/mol |
| Topological Polar Surface Area | 40.5 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 318 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Dienestrol is an olefinic compound that is hexa-2,4-diene substituted by 4-hydroxyphenyl groups at positions 3 and 4 respectively. It has a role as a xenoestrogen. It is a member of phenols and an olefinic compound.