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391680-92-5

391680-92-5 structural image
Product Name: 5,6-DIHYDROXY-2-THIOPHEN-2-YL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER
Formula: C10H8N2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 252.25 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 252.02047791 g/mol
Monoisotopic Mass 252.02047791 g/mol
Topological Polar Surface Area 116 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 430
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