Mrv1652304272018122D 9 9 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 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 6 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 M END > CDB005357 > CDB > CC1=CC(C)=C(C)N=C1 > InChI=1S/C8H11N/c1-6-4-7(2)8(3)9-5-6/h4-5H,1-3H3 > GFYHSKONPJXCDE-UHFFFAOYSA-N > C8H11N > 121.183 > 121.089149358 > 1 > 20 > 14.501343501980879 > 1 > 0 > 0 > 0 > 2,3,5-trimethylpyridine > 2.27 > 1.913786336666667 > -0.73 > 0 > 1 > 1 > 6.715687680005495 > 12.89 > 38.575 > 0 > 1 > 2.27e+01 g/l > pyridine, 2,3,5-trimethyl- > 1 > CDB005357 > 2,3,5-Trimethylpyridine $$$$