CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; [CHEMINFO] |
|---|---|
| Flash Point | Flash point < 21 °C |
| Kovats Retention Index | 682.4 685.7 711.5 682.4 684.9 674 682 |
| Chemical Classes | Solvents -> Aliphatics, Saturated (<C12) |
COMPUTED DESCRIPTORS
| Molecular Weight | 98.19 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 98.109550447 g/mol |
| Monoisotopic Mass | 98.109550447 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 49.1 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |