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13460-96-3

13460-96-3 structural image
Product Name: 1-(2,3-dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
Formula: C10H14N4O4
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COMPUTED DESCRIPTORS

Molecular Weight 254.24 g/mol
XLogP3 -1.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 254.10150494 g/mol
Monoisotopic Mass 254.10150494 g/mol
Topological Polar Surface Area 98.9 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 364
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