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87693-90-1

87693-90-1 structural image
Product Name: METHYL 4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLATE
Formula: C13H12N2O3S
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COMPUTED DESCRIPTORS

Molecular Weight 276.31 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 276.05686342 g/mol
Monoisotopic Mass 276.05686342 g/mol
Topological Polar Surface Area 93.1 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 451
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