CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid; [Sigma-Aldrich MSDS] |
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Chemical Classes | Other Classes -> Benzenesulfonic Acid Derivatives |
COMPUTED DESCRIPTORS
Molecular Weight | 334.3 g/mol |
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XLogP3 | 2.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 6 |
Exact Mass | 334.05110934 g/mol |
Monoisotopic Mass | 334.05110934 g/mol |
Topological Polar Surface Area | 95.1 Ų |
Heavy Atom Count | 23 |
Formal Charge | 0 |
Complexity | 477 |
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 |