CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colourless to pale straw-yellow liquid; Sweet, fruity aroma |
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Boiling Point | 105.00 to 107.00 °C. @ 1.00 mm Hg |
Solubility | very slightly |
Density | 0.975-0.983 |
Refractive Index | 1.511-1.516 |
COMPUTED DESCRIPTORS
Molecular Weight | 190.28 g/mol |
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XLogP3 | 3.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 4 |
Exact Mass | 190.135765193 g/mol |
Monoisotopic Mass | 190.135765193 g/mol |
Topological Polar Surface Area | 9.2 Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 149 |
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 |