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3-Octanone	Predict NMR spectrum	RN:  106-68-3 MF:  C8H16O MW:  128.21444 bp (°C):  167  - 168 mp (°C):  -23 density:  0.822 nd:  1.414  - 1.416
InChI:  1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3 InChIKey:  RHLVCLIPMVJYKS-UHFFFAOYSA-N	H donor:  0 H acceptor:  1 Rotatable bond:  5 Stereocenter:  0	cLogP:  3.064 cLogS:  -2.256 Polar surface:  17.07 NEW: 3D model:  Show
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