1134555-25-1
Product Name:
3,5-Dimethyl-1-(1,1-dioxotetrahydrothiophen-3-yl)-1H-pyrazole-4-carboxylic acid
Formula:
C10H14N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 258.30 g/mol |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 258.06742811 g/mol |
| Monoisotopic Mass | 258.06742811 g/mol |
| Topological Polar Surface Area | 97.6 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 417 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |