CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 761.1 759.7 760 760.3 749 768.6 721 725 729 758 763 768 758.9 761.4 763.8 766.3 756 758 760 763 765 768 764.4 764.8 760 761 762 779 763 758 763 762.7 764 759 759 749 763 761 766 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 112.21 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 112.125200510 g/mol |
| Monoisotopic Mass | 112.125200510 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 82 |
| 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 |