59237695 -OEChem-03282407332D 25 25 0 0 0 0 0 0 0999 V2000 3.7320 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -2.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -2.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 2.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 25 1 0 0 0 0 2 12 2 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 7 9 2 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 M END > 59237695 > 1 > 179 > 2 > 1 > 4 > AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADACAmAAwCIAAAgCIAiDSCAACAAAgAAAIiAEAAIgIIDKAFRCAYAAkwAEIiAeIyOCOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 2-(4-allylphenyl)acetic acid > 2-(4-prop-2-enylphenyl)acetic acid > 2-(4-prop-2-enylphenyl)acetic acid > 2-(4-prop-2-enylphenyl)acetic acid > 2-(4-prop-2-enylphenyl)ethanoic acid > 2-(4-allylphenyl)acetic acid > InChI=1S/C11H12O2/c1-2-3-9-4-6-10(7-5-9)8-11(12)13/h2,4-7H,1,3,8H2,(H,12,13) > DVOYEGHAVQEFSX-UHFFFAOYSA-N > 2.6 > 176.083729621 > C11H12O2 > 176.21 > C=CCC1=CC=C(C=C1)CC(=O)O > C=CCC1=CC=C(C=C1)CC(=O)O > 37.3 > 176.083729621 > 0 > 13 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 3 6 8 3 7 8 4 8 8 4 9 8 6 8 8 7 9 8 $$$$