CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid or melt; mp = 16-17 deg C; [Alfa Aesar MSDS] |
|---|---|
| Kovats Retention Index | 1361.5 |
| Chemical Classes | Other Classes -> Aliphatic Ketones, Other |
COMPUTED DESCRIPTORS
| Molecular Weight | 198.34 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 10 |
| Exact Mass | 198.198365449 g/mol |
| Monoisotopic Mass | 198.198365449 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 129 |
| 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 |