CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 773 777.2 |
|---|
SAFETY INFORMATION
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H225:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P243:Take precautionary measures against static discharge. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P403:Store in a well-ventilated place. |
COMPUTED DESCRIPTORS
| Molecular Weight | 104.22 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 104.06597156 g/mol |
| Monoisotopic Mass | 104.06597156 g/mol |
| Topological Polar Surface Area | 25.3 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 27.1 |
| 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 |