1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-


Chemical Name: 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-
CAS Number: 1076-22-8
Product Number: AG0033RO(AGN-PC-09TCWJ)
Synonyms:
MDL No:
Molecular Formula: C6H6N4O2
Molecular Weight: 166.1374

Identification/Properties


Properties
MP:
>300 °C
BP:
294.33°C (rough estimate)
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.6700 (estimate)
Computed Properties
Molecular Weight:
166.14g/mol
XLogP3:
-0.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
166.049g/mol
Monoisotopic Mass:
166.049g/mol
Topological Polar Surface Area:
78.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
242
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

Safety Information


NMR Spectrum


Other Analytical Data


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