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6548-26-1

6548-26-1 structural image
Product Name: 2-Hydroxy-5-[[4'-[(2-hydroxy-3,6-disulfo-1-naphtyl)azo]-1,1'-biphenyl-4-yl]azo]benzoic acid trisodium salt
Formula: C29H20N4O10S2.3Na
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COMPUTED DESCRIPTORS

Molecular Weight 714.6 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 7
Exact Mass 714.00791794 g/mol
Monoisotopic Mass 714.00791794 g/mol
Topological Polar Surface Area 261 Ų
Heavy Atom Count 48
Formal Charge 0
Complexity 1300
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 4
Compound Is Canonicalized Yes