CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Brown solid; [Merck Index] Crystalline solid; [Alfa Aesar MSDS] |
|---|---|
| Chemical Classes | Dyes -> Anthraquinone Dyes |
COMPUTED DESCRIPTORS
| Molecular Weight | 256.21 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 256.03717335 g/mol |
| Monoisotopic Mass | 256.03717335 g/mol |
| Topological Polar Surface Area | 94.8 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 407 |
| 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
Anthragallol is a trihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1, 2 and 3. It has a role as a plant metabolite.