CHEMICAL AND PHYSICAL PROPERTIES
Density | 0.860-0.865 |
---|---|
Refractive Index | 1.433-1.439 |
Kovats Retention Index | 1164 1167 1173 |
COMPUTED DESCRIPTORS
Molecular Weight | 170.25 g/mol |
---|---|
XLogP3 | 2.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 7 |
Exact Mass | 170.130679813 g/mol |
Monoisotopic Mass | 170.130679813 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 139 |
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 |