131013-81-5
Product Name:
Methanaminium, N,N,N-trimethyl-, salt with 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-(4-sulfophenyl)azo-1H-pyrazole-3-carboxylic acid (3:1)
Formula:
C16H9N4O9S2.3C4H12N
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COMPUTED DESCRIPTORS
| Molecular Weight | 690.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 6 |
| Exact Mass | 690.29549348 g/mol |
| Monoisotopic Mass | 690.29549348 g/mol |
| Topological Polar Surface Area | 220 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 3 |
| Complexity | 1000 |
| 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 |