CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless liquid; [Aldrich MSDS] |
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Kovats Retention Index | 627 627.3 627.7 |
Chemical Classes | Other Classes -> Aliphatics, Unsaturated |
COMPUTED DESCRIPTORS
Molecular Weight | 82.14 g/mol |
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XLogP3 | 2.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 1 |
Exact Mass | 82.078250319 g/mol |
Monoisotopic Mass | 82.078250319 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 6 |
Formal Charge | 0 |
Complexity | 68.1 |
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 |