CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 163.2 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
|---|---|
| Kovats Retention Index | 3252 |
COMPUTED DESCRIPTORS
| Molecular Weight | 268.3 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 268.088815002 g/mol |
| Monoisotopic Mass | 268.088815002 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 405 |
| 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
7-Hydroxybenzo[a]pyrene is an ortho- and peri-fused polycyclic arene.