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Ibuprofen	Predict NMR spectrum	RN:  15687-27-1 MF:  C13H18O2 MW:  206.28472 bp (°C):  157  (p=4 torr) mp (°C):  75  - 78
InChI:  1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) InChIKey:  HEFNNWSXXWATRW-UHFFFAOYSA-N	H donor:  1 H acceptor:  2 Rotatable bond:  4 Stereocenter:  1	cLogP:  3.2 cLogS:  -2.895 Polar surface:  37.3 NEW: 3D model:  Show
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