CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1084 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 122.16 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 122.073164938 g/mol |
| Monoisotopic Mass | 122.073164938 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 169 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Bicyclo[2.2.2]oct-5-en-2-one is a natural product found in Chrysanthemum indicum with data available.