Mrv1652304272018252D 11 11 0 0 0 0 999 V2000 -1.6500 -1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.7145 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 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 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 -0.7145 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 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 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 8 1 0 0 0 0 6 10 2 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 M END > CDB005482 > CDB > CCC1=C(N=CC=C1)C(C)=O > InChI=1S/C9H11NO/c1-3-8-5-4-6-10-9(8)7(2)11/h4-6H,3H2,1-2H3 > IOYXDXJFCVPYSZ-UHFFFAOYSA-N > C9H11NO > 149.193 > 149.084063978 > 2 > 22 > 16.34757273996947 > 1 > 0 > 0 > 0 > 1-(3-ethylpyridin-2-yl)ethan-1-one > 1.65 > 1.6570612876666668 > -0.75 > 0 > 1 > 0 > 15.100517883430289 > 3.2176706512589757 > 29.96 > 43.5741 > 2 > 1 > 2.65e+01 g/l > 1-(3-ethylpyridin-2-yl)ethanone > 1 > CDB005482 > 2-acetyl-3-ethyl-pyridine $$$$