CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear, colourless liquid; Powerful, sweet, earthy odour with a strong herbaceous note |
|---|---|
| Solubility | Insoluble in water; soluble in non-polar organic solvents |
| Density | 0.844-0.851 |
| Refractive Index | 1.444-1.450 |
| Kovats Retention Index | 1041 1043 1043 1044 |
COMPUTED DESCRIPTORS
| Molecular Weight | 128.21 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 128.120115130 g/mol |
| Monoisotopic Mass | 128.120115130 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 67 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |