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6428-98-4

6428-98-4 structural image
Product Name: Direct blue 9 (C.I. 24155)
Formula: C34H27N4NaO13S3
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COMPUTED DESCRIPTORS

Molecular Weight 860.7 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 17
Rotatable Bond Count 9
Exact Mass 860.01168317 g/mol
Monoisotopic Mass 860.01168317 g/mol
Topological Polar Surface Area 305 Ų
Heavy Atom Count 57
Formal Charge 0
Complexity 1670
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