CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 448 |
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SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Flame Flammables GHS02 Gas Cylinder Compressed Gases GHS04 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H221:Flammable gases H280:Gases under pressure H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H336:Specific target organ toxicity,single exposure; Narcotic effects |
Precautionary Statement Codes |
P251:Pressurized container: Do not pierce or burn, even after use. P280:Wear protective gloves/protective clothing/eye protection/face protection. P285:In case of inadequate ventilation wear respiratory protection. |
COMPUTED DESCRIPTORS
Molecular Weight | 112.09 g/mol |
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XLogP3 | 2.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 1 |
Exact Mass | 112.04998471 g/mol |
Monoisotopic Mass | 112.04998471 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 7 |
Formal Charge | 0 |
Complexity | 45.4 |
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 |