CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid; [Aldrich MSDS] |
---|---|
Vapor Pressure | 0.49 [mmHg] |
Kovats Retention Index | 1326 1326 |
Chemical Classes | Solvents -> Alcohols (<C12) |
COMPUTED DESCRIPTORS
Molecular Weight | 130.23 g/mol |
---|---|
XLogP3 | 2.4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 3 |
Exact Mass | 130.135765193 g/mol |
Monoisotopic Mass | 130.135765193 g/mol |
Topological Polar Surface Area | 20.2 Ų |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 74.6 |
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 |