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MOPSO	Predict NMR spectrum	RN:  68399-77-9 MF:  C7H15NO5S MW:  225.2598 mp (°C):  273  - 274
InChI:  1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12) InChIKey:  NUFBIAUZAMHTSP-UHFFFAOYSA-N	H donor:  2 H acceptor:  6 Rotatable bond:  4 Stereocenter:  1	cLogP:  -2.664 cLogS:  0.73 Polar surface:  95.45 NEW: 3D model:  Show
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