CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 854 865 858.9 867 859 860 860 864 863 863 863 864 864 866 861 862 863 863 863 864 865 867 867 870 870 |
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SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Flame Flammables GHS02 Health Hazard GHS08 |
GHS Hazard Statements |
H226:Flammable liquids H304:Aspiration hazard |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P315:Get immediate medical advice/attention. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. |
COMPUTED DESCRIPTORS
Molecular Weight | 110.20 g/mol |
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XLogP3 | 3.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 3 |
Exact Mass | 110.109550447 g/mol |
Monoisotopic Mass | 110.109550447 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 8 |
Formal Charge | 0 |
Complexity | 89.1 |
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 |