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3-Hexanone	Predict NMR spectrum	RN:  589-38-8 MF:  C6H12O MW:  100.16068 bp (°C):  123 density:  0.81 nd:  1.399  - 1.401
InChI:  1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3 InChIKey:  PFCHFHIRKBAQGU-UHFFFAOYSA-N	H donor:  0 H acceptor:  1 Rotatable bond:  3 Stereocenter:  0	cLogP:  2.136 cLogS:  -1.716 Polar surface:  17.07 NEW: 3D model:  Show
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