CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear colourless liquid; Sharp penetrating onion-like aroma |
|---|---|
| Solubility | Practically insoluble or insoluble in water |
| Density | 0.973-0.983 (20°) |
| Refractive Index | 1.466-1.476 |
| Kovats Retention Index | 1004 1004 1004 1013 |
COMPUTED DESCRIPTORS
| Molecular Weight | 132.23 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 132.06088618 g/mol |
| Monoisotopic Mass | 132.06088618 g/mol |
| Topological Polar Surface Area | 18.1 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 63.5 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |