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12222-63-8

12222-63-8 structural image
Product Name: Direct Yellow 120
Formula: C27H22N6Na2O9S2
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COMPUTED DESCRIPTORS

Molecular Weight 684.6 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 10
Exact Mass 684.06850721 g/mol
Monoisotopic Mass 684.06850721 g/mol
Topological Polar Surface Area 244 Ų
Heavy Atom Count 46
Formal Charge 0
Complexity 1220
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