CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear, pale yellow liquid; Spicy, herb-like aroma |
|---|---|
| Solubility | Soluble in non-polar solvents; insoluble in water |
| Density | 1.071-1.083 (20°) |
| Refractive Index | 1.544-1.559 |
| Kovats Retention Index | 1602 |
COMPUTED DESCRIPTORS
| Molecular Weight | 168.4 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 168.01011390 g/mol |
| Monoisotopic Mass | 168.01011390 g/mol |
| Topological Polar Surface Area | 75.9 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 38.7 |
| 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 |