99418-18-5
Product Name:
1,1-dioxo-3,4-dihydro-2H-1lambda6-thiopyran-5-carboxylic acid
Formula:
C6H8O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 176.19 g/mol |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 176.01432991 g/mol |
| Monoisotopic Mass | 176.01432991 g/mol |
| Topological Polar Surface Area | 79.8 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 293 |
| 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 |