CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 796 797 |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Environment GHS09 |
| GHS Hazard Statements |
H226:Flammable liquids H400:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P273:Avoid release to the environment. |
COMPUTED DESCRIPTORS
| Molecular Weight | 98.14 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 98.073164938 g/mol |
| Monoisotopic Mass | 98.073164938 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 93.2 |
| 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 |