CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 624 625 625 624.5 624.7 624.9 666 |
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SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 Health Hazard GHS08 |
GHS Hazard Statements |
H225:Flammable liquids H319:Serious eye damage/eye irritation H351:Carcinogenicity |
Precautionary Statement Codes |
P201:Obtain special instructions before use. P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
Molecular Weight | 86.13 g/mol |
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XLogP3 | 1.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 2 |
Exact Mass | 86.073164938 g/mol |
Monoisotopic Mass | 86.073164938 g/mol |
Topological Polar Surface Area | 12.5 Ų |
Heavy Atom Count | 6 |
Formal Charge | 0 |
Complexity | 43.2 |
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 |