78371-77-4
Product Name:
1-alpha-H,5-alpha-H-Tropanium, 8-(p-ethylbenzyl)-3-hydroxy-, bromide, xanthene-9-carboxylate(ester)
Formula:
C31H34NO3.Br
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COMPUTED DESCRIPTORS
| Molecular Weight | 548.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 547.17221 g/mol |
| Monoisotopic Mass | 547.17221 g/mol |
| Topological Polar Surface Area | 35.5 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 710 |
| 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 |