6402-06-8
Product Name:
4-(3-(ethoxycarbonyl)-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid
Formula:
C12H12N2O6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 312.30 g/mol |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 312.04160728 g/mol |
| Monoisotopic Mass | 312.04160728 g/mol |
| Topological Polar Surface Area | 122 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 557 |
| 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 |