CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 715.5 712.8 712 714 710 712 713 711 712.2 713 713 717 712 706 705 708 710.5 712 713 703 712 |
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COMPUTED DESCRIPTORS
Molecular Weight | 98.19 g/mol |
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XLogP3 | 3.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 1 |
Exact Mass | 98.109550447 g/mol |
Monoisotopic Mass | 98.109550447 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 7 |
Formal Charge | 0 |
Complexity | 74 |
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 |