2098083-01-1
Product Name:
1H-Pyrazole-1-acetic acid, 4-cyano-3-(3-thienyl)-, methyl ester
Formula:
C11H9N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 247.28 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 247.04154771 g/mol |
| Monoisotopic Mass | 247.04154771 g/mol |
| Topological Polar Surface Area | 96.2 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 341 |
| 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 |