CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Melting point = 9 deg C; [ChemSampCo MSDS] |
|---|---|
| Kovats Retention Index | 1353 1355 |
| Chemical Classes | Other Classes -> Aliphatic Ketones, Other |
COMPUTED DESCRIPTORS
| Molecular Weight | 184.32 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 9 |
| Exact Mass | 184.182715385 g/mol |
| Monoisotopic Mass | 184.182715385 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 118 |
| 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 |