2098004-42-1
Product Name:
1H-Pyrazole-5-carboxylic acid, 1-methyl-3-(3-thienyl)-, methyl ester
Formula:
C10H10N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 222.27 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 222.04629874 g/mol |
| Monoisotopic Mass | 222.04629874 g/mol |
| Topological Polar Surface Area | 72.4 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 250 |
| 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 |