CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 834 |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids |
COMPUTED DESCRIPTORS
| Molecular Weight | 112.13 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 112.052429494 g/mol |
| Monoisotopic Mass | 112.052429494 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 145 |
| 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 |