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Isophthalic acid	Predict NMR spectrum	RN:  121-91-5 MF:  C8H6O4 MW:  166.13324 mp (°C):  341  - 343
InChI:  1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12) InChIKey:  QQVIHTHCMHWDBS-UHFFFAOYSA-N	H donor:  2 H acceptor:  4 Rotatable bond:  2 Stereocenter:  0	cLogP:  1.022 cLogS:  -1.642 Polar surface:  74.6 NEW: 3D model:  Show
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