1060794-95-7
Product Name:
Thiopyrano[4,3-c]pyrazole-3-carboxylic acid, 1,4,6,7-tetrahydro-, methyl ester
Formula:
C8H10N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 198.24 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 198.04629874 g/mol |
| Monoisotopic Mass | 198.04629874 g/mol |
| Topological Polar Surface Area | 80.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 212 |
| 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 |