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trans-Aconitic acid	Predict NMR spectrum	RN:  4023-65-8 MF:  C6H6O6 MW:  174.11004 mp (°C):  187  - 191
InChI:  1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1- InChIKey:  GTZCVFVGUGFEME-IWQZZHSRSA-N	H donor:  3 H acceptor:  6 Rotatable bond:  4 Stereocenter:  0	cLogP:  -1.171 cLogS:  -0.115 Polar surface:  111.9 NEW: 3D model:  Show
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