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876890-70-9

876890-70-9 structural image
Product Name: 2,4-dimethyl-7-[(3-methylphenoxy)methyl]-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
Formula: C17H18N4O4
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COMPUTED DESCRIPTORS

Molecular Weight 342.35 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 342.13280507 g/mol
Monoisotopic Mass 342.13280507 g/mol
Topological Polar Surface Area 76.9 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 559
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes