898756-80-4
Product Name:
4'-CYANO-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
Formula:
C18H23NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 301.4 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 301.16779360 g/mol |
| Monoisotopic Mass | 301.16779360 g/mol |
| Topological Polar Surface Area | 59.3 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 405 |
| 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 |