CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 1285 |
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COMPUTED DESCRIPTORS
Molecular Weight | 171.32 g/mol |
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XLogP3 | 4.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 9 |
Exact Mass | 171.198699802 g/mol |
Monoisotopic Mass | 171.198699802 g/mol |
Topological Polar Surface Area | 12 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 71.4 |
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 |