CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 682 |
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SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H228:Flammable solids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
COMPUTED DESCRIPTORS
Molecular Weight | 578.12 g/mol |
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XLogP3 | 7.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 23 |
Rotatable Bond Count | 10 |
Exact Mass | 577.9797707 g/mol |
Monoisotopic Mass | 577.9797707 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 35 |
Formal Charge | 0 |
Complexity | 806 |
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 |