CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 843 844 |
|---|---|
| Chemical Classes | Other Classes -> Aliphatic Ketones, Other |
COMPUTED DESCRIPTORS
| Molecular Weight | 98.14 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 98.073164938 g/mol |
| Monoisotopic Mass | 98.073164938 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 82.2 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-hexen-2-one is an enone that is hex-3-ene in which the methylene hydrogen atoms at position 2 have been replaced by an oxo group. It has a role as a plant metabolite. It is an enone, a methyl ketone and a volatile organic compound.