CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear, colourless liquid; Fruit aroma |
|---|---|
| Solubility | Slightly soluble in water; soluble in many non-polar solvents |
| Density | 1.025-1.029 |
| Refractive Index | 1.458-1.459 |
| Kovats Retention Index | 1035 1035 1035 1033 |
COMPUTED DESCRIPTORS
| Molecular Weight | 148.23 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 148.05580079 g/mol |
| Monoisotopic Mass | 148.05580079 g/mol |
| Topological Polar Surface Area | 27.3 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 93.1 |
| 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 |