CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1741.6 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 98.10 g/mol |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 98.036779430 g/mol |
| Monoisotopic Mass | 98.036779430 g/mol |
| Topological Polar Surface Area | 34.1 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 101 |
| 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 |