CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Yellowish to greenish, transparent liquid; Slightly fluorescent with an agreeable odor like pine; Gradually solidifies on exposure to air; [Merck Index] |
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Chemical Classes | UVCB |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Flame Flammables GHS02 |
GHS Hazard Statements |
H226:Flammable liquids |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. |
COMPUTED DESCRIPTORS
Molecular Weight | 636.9 g/mol |
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XLogP3 | 6.8 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 16 |
Exact Mass | 636.41517492 g/mol |
Monoisotopic Mass | 636.41517492 g/mol |
Topological Polar Surface Area | 126 Ų |
Heavy Atom Count | 47 |
Formal Charge | 0 |
Complexity | 1200 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 4 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 4 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |