CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Kovats Retention Index | 1968 |
| Chemical Classes | Solvents -> Ketones (<C12) |
COMPUTED DESCRIPTORS
| Molecular Weight | 142.24 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 142.135765193 g/mol |
| Monoisotopic Mass | 142.135765193 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 96.9 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |