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29412-85-9

29412-85-9 structural image
Product Name: METHYLXYLENOL BLUE
Formula: C33H37N2NaO13S
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COMPUTED DESCRIPTORS

Molecular Weight 620.6 g/mol
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 13
Exact Mass 620.12880444 g/mol
Monoisotopic Mass 620.12880444 g/mol
Topological Polar Surface Area 229 Ų
Heavy Atom Count 42
Formal Charge 0
Complexity 1050
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 3
Compound Is Canonicalized Yes