CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear light yellow liquid; fruity berry |
|---|---|
| Boiling Point | 175.00 to 176.00 °C. @ 760.00 mm Hg |
| Solubility | Insoluble in water |
| Density | 0.830-0.838 |
| Refractive Index | 1.438-1.442 |
| Kovats Retention Index | 866 |
COMPUTED DESCRIPTORS
| Molecular Weight | 128.21 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 128.120115130 g/mol |
| Monoisotopic Mass | 128.120115130 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 76.6 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |