CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear colourless to yellow liquid; Fruity aroma with sulphureous undertones |
|---|---|
| Solubility | Practically insoluble or insoluble in water |
| Density | 0.949-0.959 (20°) |
| Refractive Index | 1.450-1.460 |
COMPUTED DESCRIPTORS
| Molecular Weight | 204.33 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 204.11840105 g/mol |
| Monoisotopic Mass | 204.11840105 g/mol |
| Topological Polar Surface Area | 27.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 164 |
| 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 |