CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Clear colourless to pale yellow liquid; Sweet penetrating aroma |
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Solubility | Practically insoluble or insoluble in water |
Density | 0.964-0.970 (20°) |
Refractive Index | 1.458-1.464 |
COMPUTED DESCRIPTORS
Molecular Weight | 218.36 g/mol |
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XLogP3 | 3.5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 9 |
Exact Mass | 218.13405111 g/mol |
Monoisotopic Mass | 218.13405111 g/mol |
Topological Polar Surface Area | 27.3 Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 148 |
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 |