CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 946 |
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SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H226:Flammable liquids H332:Acute toxicity,inhalation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. |
COMPUTED DESCRIPTORS
Molecular Weight | 114.19 g/mol |
---|---|
XLogP3 | 1.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 0 |
Exact Mass | 114.104465066 g/mol |
Monoisotopic Mass | 114.104465066 g/mol |
Topological Polar Surface Area | 20.2 Ų |
Heavy Atom Count | 8 |
Formal Charge | 0 |
Complexity | 70.8 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 2 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |