CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 107 - 108 °C |
| Kovats Retention Index | 2803.5 |
COMPUTED DESCRIPTORS
| Molecular Weight | 356.4 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 356.16237386 g/mol |
| Monoisotopic Mass | 356.16237386 g/mol |
| Topological Polar Surface Area | 61.8 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 645 |
| 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
Rutamarin is a natural product found in Ruta montana, Ruta graveolens, and other organisms with data available.