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51987-57-6

51987-57-6 structural image
Product Name: 8-ISOTHIOCYANATOPYRENE-1,3,6-TRISULFONIC ACID TRISODIUM SALT
Formula: C17H6NNa3O9S4
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COMPUTED DESCRIPTORS

Molecular Weight 565.5 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 1
Exact Mass 564.86184831 g/mol
Monoisotopic Mass 564.86184831 g/mol
Topological Polar Surface Area 241 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 1060
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