CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 694 |
---|
SAFETY INFORMATION
Signal word | Danger |
---|---|
Pictogram(s) |
Flame Flammables GHS02 Corrosion Corrosives GHS05 |
GHS Hazard Statements |
H225:Flammable liquids H314:Skin corrosion/irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P260:Do not breathe dust/fume/gas/mist/vapours/spray. |
COMPUTED DESCRIPTORS
Molecular Weight | 101.19 g/mol |
---|---|
XLogP3 | 1.5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 3 |
Exact Mass | 101.120449483 g/mol |
Monoisotopic Mass | 101.120449483 g/mol |
Topological Polar Surface Area | 12 Ų |
Heavy Atom Count | 7 |
Formal Charge | 0 |
Complexity | 33.2 |
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 |