Mrv1652304272018152D 9 9 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 0.8250 1.4290 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 -0.7144 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 0.4125 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 N 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 7 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 8 9 2 0 0 0 0 M END > CDB005386 > CDB > CCC1=NC=C(C)C=C1 > InChI=1S/C8H11N/c1-3-8-5-4-7(2)6-9-8/h4-6H,3H2,1-2H3 > COHDGTRFTKHYSJ-UHFFFAOYSA-N > C8H11N > 121.1796 > 121.089149357 > 1 > 20 > 14.470783417063657 > 1 > 0 > 0 > 0 > 2-ethyl-5-methylpyridine > 2.17 > 2.1009007943333335 > -0.58 > 0 > 1 > 0 > 6.064206131374795 > 12.89 > 38.1607 > 1 > 1 > 3.21e+01 g/l > 2-ethyl-5-methylpyridine > 1 > CDB005386 > 2-Ethyl-5-methylpyridine $$$$