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5-Methyl-2-hexanone	NEW: Predict NMR spectrum	RN:  110-12-3 MF:  C7H14O MW:  114.18756 bp (°C):  145 mp (°C):  -74 density:  0.81 nd:  1.406  - 1.408
InChI:  1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3 InChIKey:  FFWSICBKRCICMR-UHFFFAOYSA-N	H donor:  0 H acceptor:  1 Rotatable bond:  3 Stereocenter:  0	cLogP:  2.476 cLogS:  -1.876 Polar surface:  17.07
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