CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1953.7 1912 326.94 326.94 329.61 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 181.23 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 181.089149355 g/mol |
| Monoisotopic Mass | 181.089149355 g/mol |
| Topological Polar Surface Area | 15.8 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 213 |
| 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 |