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6459-98-9

6459-98-9 structural image
Product Name: 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[[4'-[[4-hydroxy-2-(phenylamino)phenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-, disodium salt
Formula: C36H28N6Na2O8S2
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COMPUTED DESCRIPTORS

Molecular Weight 782.8 g/mol
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 7
Exact Mass 782.12054278 g/mol
Monoisotopic Mass 782.12054278 g/mol
Topological Polar Surface Area 259 Ų
Heavy Atom Count 54
Formal Charge 0
Complexity 1440
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 3
Compound Is Canonicalized Yes