CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid; [ChemSampCo MSDS] |
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Kovats Retention Index | 621 619.37 |
Chemical Classes | Solvents -> Aliphatics, Saturated (<C12) |
COMPUTED DESCRIPTORS
Molecular Weight | 84.16 g/mol |
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XLogP3 | 3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 1 |
Exact Mass | 84.093900383 g/mol |
Monoisotopic Mass | 84.093900383 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 6 |
Formal Charge | 0 |
Complexity | 35.3 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |