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62698-55-9

62698-55-9 structural image
Product Name: THYMOLPHTHALEXON, INDICATOR FOR COMPLEXO METRY
Formula: C38H45N2NaO12
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COMPUTED DESCRIPTORS

Molecular Weight 808.7 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 12
Exact Mass 808.21720184 g/mol
Monoisotopic Mass 808.21720184 g/mol
Topological Polar Surface Area 234 Ų
Heavy Atom Count 56
Formal Charge 0
Complexity 1180
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

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