CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 831 820 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 113.20 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 113.120449483 g/mol |
| Monoisotopic Mass | 113.120449483 g/mol |
| Topological Polar Surface Area | 3.2 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 62.8 |
| 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 |