CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colourless to slightly yellow liquid, green, herbaceous, balsamic odour |
---|---|
Solubility | insoluble in water; soluble in oils |
Density | 1.075-1.082 |
Refractive Index | 1.550-1.556 |
Kovats Retention Index | 1332 1330 1330 |
COMPUTED DESCRIPTORS
Molecular Weight | 162.18 g/mol |
---|---|
XLogP3 | 2.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 4 |
Exact Mass | 162.068079557 g/mol |
Monoisotopic Mass | 162.068079557 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 146 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |