Mrv1652304272018582D 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 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 -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 0.7145 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 -1.2375 -2.1435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 6 8 1 0 0 0 0 6 9 3 0 0 0 0 M END > CDB005804 > CDB > CC1=CC=C(C=C1)C#N > InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3 > VCZNNAKNUVJVGX-UHFFFAOYSA-N > C8H7N > 117.151 > 117.057849229 > 1 > 16 > 12.987854168896138 > 1 > 0 > 0 > 0 > 4-methylbenzonitrile > 2.02 > 2.3427633936666665 > -1.48 > 0 > 1 > 0 > 23.79 > 36.820800000000006 > 0 > 1 > 3.91e+00 g/l > 4-methylbenzonitrile > 1 > CDB005804 > p-Tolunitrile $$$$