470687-41-3
Product Name:
dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate iodide
Formula:
C22H33IN2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 516.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 12 |
| Exact Mass | 516.14851 g/mol |
| Monoisotopic Mass | 516.14851 g/mol |
| Topological Polar Surface Area | 61.4 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 513 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |