1256628-02-0
Product Name:
Methyl 2,4-dioxo-6-(2-thienyl)-cyclohexanecarboxylate
Formula:
C12H12O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 252.29 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 252.04563003 g/mol |
| Monoisotopic Mass | 252.04563003 g/mol |
| Topological Polar Surface Area | 88.7 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 352 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |