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446276-11-5

446276-11-5 structural image
Product Name: METHYL 3-[5-CYANO-2,4-DIOXO-3,4-DIHYDRO-1(2H)-PYRIMIDINYL]-2-THIOPHENECARBOXYLATE
Formula: C11H7N3O4S
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COMPUTED DESCRIPTORS

Molecular Weight 277.26 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 277.01572689 g/mol
Monoisotopic Mass 277.01572689 g/mol
Topological Polar Surface Area 128 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 521
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