100447-55-0
Product Name:
1,4-Benzodioxan-2-carboxylic acid, 3-phenyl-, 2-(2-(diethylamino)ethox y)ethyl ester, citrate, (E)-
Formula:
C23H29NO5.C6H8O7
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COMPUTED DESCRIPTORS
| Molecular Weight | 591.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 15 |
| Exact Mass | 591.23157562 g/mol |
| Monoisotopic Mass | 591.23157562 g/mol |
| Topological Polar Surface Area | 193 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 702 |
| 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 |