2091264-97-8
Product Name:
rac-(2R,3S)-3-(trifluoromethyl)-1,4-dioxane-2-carboxylic acid, cis
Formula:
C6H7F3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 200.11 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 200.02964319 g/mol |
| Monoisotopic Mass | 200.02964319 g/mol |
| Topological Polar Surface Area | 55.8 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 203 |
| 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 |