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Cycloheptanone	Predict NMR spectrum	RN:  502-42-1 MF:  C7H12O MW:  112.17168 bp (°C):  179 density:  0.95 nd:  1.46  - 1.462
InChI:  1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2 InChIKey:  CGZZMOTZOONQIA-UHFFFAOYSA-N	H donor:  0 H acceptor:  1 Rotatable bond:  0 Stereocenter:  0	cLogP:  2.06 cLogS:  -2.072 Polar surface:  17.07 NEW: 3D model:  Show
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