5937-29-1
Product Name:
1-alpha-H,5-alpha-H-Tropanium, 2-beta-carboxy-3-beta-hydroxy-8-methyl- , iodide, methyl ester, benzoate
Formula:
C18H24INO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 445.3 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 445.07501 g/mol |
| Monoisotopic Mass | 445.07501 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 470 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |