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4-Cyanobenzoic acid	Predict NMR spectrum	RN:  619-65-8 MF:  C8H5NO2 MW:  147.1332 mp (°C):  217  - 222
InChI:  1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11) InChIKey:  ADCUEPOHPCPMCE-UHFFFAOYSA-N	H donor:  1 H acceptor:  3 Rotatable bond:  1 Stereocenter:  0	cLogP:  1.313 cLogS:  -2.402 Polar surface:  61.09 NEW: 3D model:  Show
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