CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless clear liquid; Fruity wine-like aroma |
|---|---|
| Solubility | Practically insoluble or insoluble in water |
| Density | 0.949-0.959 (20°) |
| Refractive Index | 1.425-1.435 |
COMPUTED DESCRIPTORS
| Molecular Weight | 186.25 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 186.125594432 g/mol |
| Monoisotopic Mass | 186.125594432 g/mol |
| Topological Polar Surface Area | 43.4 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 175 |
| 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 |