CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless liquid; [MSDSonline] |
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Boiling Point | 122 °C |
Vapor Pressure | 14.5 [mmHg] |
Kovats Retention Index | 775 777 779 783 |
Chemical Classes | Other Classes -> Esters, Other |
COMPUTED DESCRIPTORS
Molecular Weight | 114.14 g/mol |
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XLogP3 | 2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 4 |
Exact Mass | 114.068079557 g/mol |
Monoisotopic Mass | 114.068079557 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 8 |
Formal Charge | 0 |
Complexity | 86.5 |
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 |