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4-Nitrobenzenesulfonic acid	NEW: Predict NMR spectrum	RN:  138-42-1 MF:  C6H5NO5S MW:  203.1694
InChI:  1S/C6H5NO5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,10,11,12) InChIKey:  SPXOTSHWBDUUMT-UHFFFAOYSA-N	H donor:  1 H acceptor:  6 Rotatable bond:  2 Stereocenter:  0	cLogP:  -0.554 cLogS:  -0.682 Polar surface:  108.57
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