CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid; Other Solid; Pellets or Large Crystals |
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Collision Cross Section | 256.61 Ų [M+Na]+ 246.33 Ų [M+H]+ |
COMPUTED DESCRIPTORS
Molecular Weight | 692.6 g/mol |
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XLogP3 | 10.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 14 |
Exact Mass | 692.17289203 g/mol |
Monoisotopic Mass | 692.17289203 g/mol |
Topological Polar Surface Area | 89.5 Ų |
Heavy Atom Count | 49 |
Formal Charge | 0 |
Complexity | 931 |
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 |