CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless liquid; [MSDSonline] |
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Kovats Retention Index | 237.44 |
Chemical Classes | Nitrogen Compounds -> Nitriles |
COMPUTED DESCRIPTORS
Molecular Weight | 167.29 g/mol |
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XLogP3 | 4.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 8 |
Exact Mass | 167.167399674 g/mol |
Monoisotopic Mass | 167.167399674 g/mol |
Topological Polar Surface Area | 23.8 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 120 |
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 |