1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,7-dimethyl-


Chemical Name: 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,7-dimethyl-
CAS Number: 33868-03-0
Product Number: AG007IMN(AGN-PC-07Y4JS)
Synonyms:
MDL No:
Molecular Formula: C7H8N4O3
Molecular Weight: 196.1634

Identification/Properties


Computed Properties
Molecular Weight:
196.166g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
196.06g/mol
Monoisotopic Mass:
196.06g/mol
Topological Polar Surface Area:
81.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
386
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

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NMR Spectrum


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