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Theophylline 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine 1,3-Dimethylxanthine 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione	Predict NMR spectrum	RN:  58-55-9 MF:  C7H8N4O2 MW:  180.16612 mp (°C):  270  - 274
InChI:  1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) InChIKey:  ZFXYFBGIUFBOJW-UHFFFAOYSA-N	H donor:  1 H acceptor:  6 Rotatable bond:  0 Stereocenter:  0	cLogP:  -0.087 cLogS:  -1.48 Polar surface:  69.3 NEW: 3D model:  Show
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