CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 1755 1757 1760 1767 1781 1810 1752 1762 1777 1761.4 1761 |
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SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral |
Precautionary Statement Codes |
P262:Do not get in eyes, on skin, or on clothing. |
COMPUTED DESCRIPTORS
Molecular Weight | 240.17 g/mol |
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XLogP3 | 2.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 3 |
Exact Mass | 240.03823598 g/mol |
Monoisotopic Mass | 240.03823598 g/mol |
Topological Polar Surface Area | 118 Ų |
Heavy Atom Count | 17 |
Formal Charge | 0 |
Complexity | 298 |
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 |