CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 1093 1044 |
---|
COMPUTED DESCRIPTORS
Molecular Weight | 126.15 g/mol |
---|---|
XLogP3 | 0.9 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 0 |
Exact Mass | 126.068079557 g/mol |
Monoisotopic Mass | 126.068079557 g/mol |
Topological Polar Surface Area | 37.3 Ų |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 179 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |