CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless liquid, warm spicy herbaceous aroma, aroma similar to carrot |
|---|---|
| Boiling Point | 235.00 °C. @ 760.00 mm Hg |
| Solubility | Slightly soluble in water, miscible in oils |
| Density | 0.935-0.942 |
| Refractive Index | 1.502-1.509 |
| Kovats Retention Index | 1294 1296 |
COMPUTED DESCRIPTORS
| Molecular Weight | 178.27 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 178.135765193 g/mol |
| Monoisotopic Mass | 178.135765193 g/mol |
| Topological Polar Surface Area | 9.2 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 142 |
| 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 |