CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 740.4 725.9 737.8 735.05 735.35 735.37 735 732 744.1 738 741 744 738.4 740.1 741.8 743.3 736 738 739 741 743 744 759 741 740.2 737.1 736 732 738 738 852 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 112.21 g/mol |
|---|---|
| XLogP3 | 3.5 |
| 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 | 66.1 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |