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412336-00-6

412336-00-6 structural image
Product Name: 7,8-DIMETHOXY-1-OXO-1H-ISOTHIOCHROMENE-3-CARBOXYLIC ACID
Formula: C12H10O5S
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COMPUTED DESCRIPTORS

Molecular Weight 266.27 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 266.02489459 g/mol
Monoisotopic Mass 266.02489459 g/mol
Topological Polar Surface Area 98.1 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 392
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