CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid; [ChemSampCo MSDS] |
---|---|
Kovats Retention Index | 888 887.7 883 |
Chemical Classes | Solvents -> Aliphatics, Saturated (<C12) |
COMPUTED DESCRIPTORS
Molecular Weight | 126.24 g/mol |
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XLogP3 | 4.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 1 |
Exact Mass | 126.140850574 g/mol |
Monoisotopic Mass | 126.140850574 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 68.1 |
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 |