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5-Cyanophthalide	NEW: Predict NMR spectrum	RN:  82104-74-3 MF:  C9H5NO2 MW:  159.1442 mp (°C):  201  - 205
InChI:  1S/C9H5NO2/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,5H2 InChIKey:  XEEGWTLAFIZLSF-UHFFFAOYSA-N	H donor:  0 H acceptor:  3 Rotatable bond:  0 Stereocenter:  0	cLogP:  0.735 cLogS:  -2.767 Polar surface:  50.09
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