CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White crystalline solid; Hygroscopic; mp = 37-39 deg C; [Alfa Aesar MSDS] |
|---|---|
| Kovats Retention Index | 1843 |
| Chemical Classes | Other Classes -> Alcohols and Polyols, Other |
COMPUTED DESCRIPTORS
| Molecular Weight | 118.17 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 118.099379685 g/mol |
| Monoisotopic Mass | 118.099379685 g/mol |
| Topological Polar Surface Area | 40.5 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 63.4 |
| 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 |