Mrv1652306242118173D 23 23 0 0 0 0 999 V2000 -1.2388 -1.8961 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4859 -0.4434 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7428 0.0925 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9828 1.4477 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9156 2.3289 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6441 1.8123 -0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4091 0.4580 -0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9171 -0.1403 -0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0366 0.5579 -0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3529 -0.1032 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5132 -1.4944 -0.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3678 0.6277 -0.0893 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1748 -2.4466 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7653 -2.2378 -1.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5412 -2.1718 0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6232 -0.5441 -0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9705 1.8846 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 3.3991 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 2.4823 -0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0561 -1.2263 -0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9724 1.6289 -0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0557 -1.9377 -0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0896 -2.0780 0.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 7 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 3 16 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 M END > NP0005127 > NP-MRD > [H]N([H])C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H] > InChI=1S/C10H11NO/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-7H,1H3,(H2,11,12)/b7-6+ > GLJWZMYXVRYLPB-VOTSOKGWSA-N > C10H11NO > 161.204 > 161.084063978 > 1 > 23 > 17.98110731280375 > 1 > 1 > 0 > 1 > (2E)-3-(2-methylphenyl)prop-2-enamide > 1.66 > 1.842565035666667 > -2.49 > 0 > 1 > 0 > 16.653784861001352 > -0.14744368672792774 > 43.09 > 49.923300000000005 > 2 > 1 > 5.22e-01 g/l > (2E)-3-(2-methylphenyl)prop-2-enamide > 0 > NP0005127 > U-77863 $$$$