80917-59-5
Product Name:
(+-)-1,6-Dimethyl-9-oxaergoline ethanedioate (1:1)
Formula:
C15H18N2O.C2H2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 332.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 332.13722174 g/mol |
| Monoisotopic Mass | 332.13722174 g/mol |
| Topological Polar Surface Area | 92 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 406 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |