CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1668 1665 1658 1633 1662 1639 1639 1639 1662 1645.9 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 222.37 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 222.198365449 g/mol |
| Monoisotopic Mass | 222.198365449 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 294 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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
Valeranone is a sesquiterpenoid.