20514-27-6
Product Name:
1H-Pyrazole-3-Carboxylicacid,4,5-Dihydro-5-Oxo-1-(4-Sulfophenyl)-,3-Ethylester,Sodiumsalt
Formula:
C12H13N2NaO6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 334.28 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 334.02355153 g/mol |
| Monoisotopic Mass | 334.02355153 g/mol |
| Topological Polar Surface Area | 125 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 563 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |