20298-05-9
Product Name:
trisodium 2-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]-1H-pyrazol-4-yl]azo]naphthalene-1,5-disulphonate
Formula:
C22H17N4Na3O13S4
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COMPUTED DESCRIPTORS
| Molecular Weight | 742.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 7 |
| Exact Mass | 741.93680415 g/mol |
| Monoisotopic Mass | 741.93680415 g/mol |
| Topological Polar Surface Area | 306 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 1510 |
| 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 | 4 |
| Compound Is Canonicalized | Yes |