IUPAC Name :7-methyl-3H-purine-2,6-dione
InChI :InChI=1/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
Std.InChI: InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
InChIKey :PFWLFWPASULGAN-UHFFFAOYAY
Std.InChIKey: PFWLFWPASULGAN-UHFFFAOYSA-N
SMILES :CN1C=NC2=C1C(=O)NC(=O)N2
MDL: MFCD00037979
Molar Refractivity :39.73 ± 0.5 cm3 (est)
Parachor :273.6 ± 8.0 cm3 (est)
Index of Refraction :1.827 ± 0.05
(est)
Surface Tension :82.8 ± 7.0 dyne/cm (est)
Density :1.83 ± 0.1 g/cm3 (est)
Polarizability :15.75 ± 0.5 10-24cm3 (est)