205985-94-0
Product Name:
(2R,3S)-1-CARBOXY-4-TRIFLUOROMETHYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE, 95
Formula:
C8H7F3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 224.13 g/mol |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 224.02964319 g/mol |
| Monoisotopic Mass | 224.02964319 g/mol |
| Topological Polar Surface Area | 77.8 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 342 |
| 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 |