859795-16-7
Product Name:
diethyl 4-hydroxy-4-methyl-6-oxo-2-(thiophen-2-yl)cyclohexane-1,3-dicarboxylate
Formula:
C17H22O6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 354.4 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 354.11370959 g/mol |
| Monoisotopic Mass | 354.11370959 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 507 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |