CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless to pale yellow clear liquid; fresh fruity aroma |
|---|---|
| Solubility | Practically insoluble to insoluble in water |
| Density | 1.161-1.172 (20°) |
| Refractive Index | 1.524-1.532 |
COMPUTED DESCRIPTORS
| Molecular Weight | 178.18 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 178.062994177 g/mol |
| Monoisotopic Mass | 178.062994177 g/mol |
| Topological Polar Surface Area | 38.8 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 196 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |