Mrv1652304272018582D 10 10 0 0 0 0 999 V2000 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 -2.0625 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 -0.4125 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 -2.8876 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 -3.7126 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 6 9 1 0 0 0 0 7 9 1 0 0 0 0 8 10 3 0 0 0 0 M END > CDB005806 > CDB > N#CCCC1=CC=CC=C1 > InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2 > ACRWYXSKEHUQDB-UHFFFAOYSA-N > C9H9N > 131.1745 > 131.073499293 > 1 > 19 > 14.844501916604175 > 1 > 0 > 0 > 0 > 3-phenylpropanenitrile > 1.94 > 2.1135116369999998 > -1.79 > 0 > 1 > 0 > 23.79 > 40.9459 > 2 > 1 > 2.15e+00 g/l > benzylacetonitrile > 1 > CDB005806 > Beta-Phenylethylcyanide $$$$