31237-03-3
Product Name:
disodium p-[4,5-dihydro-4-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate
Formula:
C19H18N4Na2O11S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 620.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 8 |
| Exact Mass | 619.99295949 g/mol |
| Monoisotopic Mass | 619.99295949 g/mol |
| Topological Polar Surface Area | 250 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 1180 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |