Mrv1652304272019152D 11 11 0 0 0 0 999 V2000 0.8250 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 M END > CDB005964 > CDB > CC(=O)C1=C(C)N=C(C)C=C1 > InChI=1S/C9H11NO/c1-6-4-5-9(8(3)11)7(2)10-6/h4-5H,1-3H3 > QICFGQJIWDJROU-UHFFFAOYSA-N > C9H11NO > 149.193 > 149.084063978 > 2 > 22 > 16.66924551231496 > 1 > 0 > 0 > 0 > 1-(2,6-dimethylpyridin-3-yl)ethan-1-one > 1.67 > 0.5759612456666668 > -0.88 > 0 > 1 > 0 > 15.900695369931235 > 5.493709801237407 > 29.96 > 43.486900000000006 > 1 > 1 > 1.98e+01 g/l > 1-(2,6-dimethylpyridin-3-yl)ethanone > 1 > CDB005964 > 2,6-Dimethyl-3-acetylpyridine $$$$