807312-27-2
Product Name:
1,3-Dioxane-4-aceticacid,6-(cyanomethyl)-2,2-dimethyl-,(4R,6R)-(9CI)
Formula:
C10H15NO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 213.23 g/mol |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 213.10010796 g/mol |
| Monoisotopic Mass | 213.10010796 g/mol |
| Topological Polar Surface Area | 79.6 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 291 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |