CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 695.1 694.6 694.8 705 691 691 692 691 691.3 695 695 693 694 685 693.2 700 701.5 692.2 695 685 692 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 98.19 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 98.109550447 g/mol |
| Monoisotopic Mass | 98.109550447 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 60.4 |
| 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 |