CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless liquid; herbaceous aroma |
|---|---|
| Solubility | Soluble in water (2.70 g/l at 20C); soluble in white petrolatum (>1000 g/l at 20C) |
| Density | 1.016-1.022 (20°) |
| Refractive Index | 1.464-1.470 |
COMPUTED DESCRIPTORS
| Molecular Weight | 168.23 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 168.115029749 g/mol |
| Monoisotopic Mass | 168.115029749 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 200 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |