898785-60-9
Product Name:
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-2'-IODOVALEROPHENONE
Formula:
C17H23IO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 402.27 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 402.06919 g/mol |
| Monoisotopic Mass | 402.06919 g/mol |
| Topological Polar Surface Area | 35.5 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 333 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |