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52587-68-5

52587-68-5 structural image
Product Name: disodium [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxybenzenesulphonato(3-)][1-[[2-hydroxy-5-(phenylazo)phenyl]azo]-2-naphtholato(2-)]chromate(2-)
Formula: C38H25CrN8Na2O7S
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COMPUTED DESCRIPTORS

Molecular Weight 835.7 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 7
Exact Mass 835.076735 g/mol
Monoisotopic Mass 835.076735 g/mol
Topological Polar Surface Area 250 Ų
Heavy Atom Count 57
Formal Charge 0
Complexity 1140
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 5
Compound Is Canonicalized Yes