CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | White solid; [Alfa Aesar MSDS] |
---|---|
Kovats Retention Index | 1699 1682 1682 1706 1689 1658 1682 |
Chemical Classes | Other Classes -> Aromatic Hydrocarbons |
COMPUTED DESCRIPTORS
Molecular Weight | 246.4 g/mol |
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XLogP3 | 6.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 6 |
Exact Mass | 246.234750957 g/mol |
Monoisotopic Mass | 246.234750957 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 18 |
Formal Charge | 0 |
Complexity | 146 |
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 |