29125-57-3
Product Name:
3-Hydroxy-1-methylquinuclidinium bromide alpha-cyclopentylmandelate
Formula:
C21H30NO3.Br
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COMPUTED DESCRIPTORS
| Molecular Weight | 424.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 423.14091 g/mol |
| Monoisotopic Mass | 423.14091 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 487 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |