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72814-84-7 structural image
Product Name: ERYTHROSIN B ISOTHIOCYANATE, ISOMER II
Formula: C21H7I4NO5S
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COMPUTED DESCRIPTORS

Molecular Weight 893.0 g/mol
XLogP3 7.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 1
Exact Mass 892.6224 g/mol
Monoisotopic Mass 892.6224 g/mol
Topological Polar Surface Area 120 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 796
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 1
Compound Is Canonicalized Yes