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108722-19-6

108722-19-6 structural image
Product Name: Methylthymol blue, sodium salt, indicator grade
Formula: C37H45N2NaO13S
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CHEMICAL AND PHYSICAL PROPERTIES

Chemical Classes Dyes -> Indicator Dyes

COMPUTED DESCRIPTORS

Molecular Weight 844.7 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 16
Exact Mass 844.18418764 g/mol
Monoisotopic Mass 844.18418764 g/mol
Topological Polar Surface Area 259 Ų
Heavy Atom Count 57
Formal Charge 0
Complexity 1350
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 5
Compound Is Canonicalized Yes