CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colourless liquid; Vetivert-violet aroma |
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Solubility | Soluble in hexane; Insoluble in water |
Density | 0.925-0.935 |
Refractive Index | 1.465-1.475 |
COMPUTED DESCRIPTORS
Molecular Weight | 250.38 g/mol |
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XLogP3 | 4.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 4 |
Exact Mass | 250.193280068 g/mol |
Monoisotopic Mass | 250.193280068 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 18 |
Formal Charge | 0 |
Complexity | 375 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 2 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |