CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 2877.3 |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 286.28 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 286.08412354 g/mol |
| Monoisotopic Mass | 286.08412354 g/mol |
| Topological Polar Surface Area | 76 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 377 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one is a natural product found in Chromolaena odorata, Prunus cerasus, and other organisms with data available.