CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1638 1659 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 170.25 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 170.109550447 g/mol |
| Monoisotopic Mass | 170.109550447 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 155 |
| 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
4,6,8-trimethylazulene is a member of the class of azulenes that is azulene substituted by methyl groups at positions 4, 6 and 8 respectively. It has a role as a metabolite. It derives from a hydride of an azulene.