85443-67-0
Product Name:
hydrogen [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(3-)]hydroxychromate(1-), compound with 3-[(2-ethylhexyl)oxy]propylamine (1:1)
Formula:
C27H37CrN6O9S
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COMPUTED DESCRIPTORS
| Molecular Weight | 673.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 12 |
| Exact Mass | 673.174778 g/mol |
| Monoisotopic Mass | 673.174778 g/mol |
| Topological Polar Surface Area | 236 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 801 |
| 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 | 5 |
| Compound Is Canonicalized | Yes |