70081055 -OEChem-03282409432D 27 27 0 0 0 0 0 0 0999 V2000 3.7320 -0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 3.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 4.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 2 12 2 0 0 0 0 3 15 1 0 0 0 0 3 27 1 0 0 0 0 4 15 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 M END > 70081055 > 1 > 249 > 4 > 1 > 4 > AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASgmAIyDoAABgCIAqDSCAICCAAkIAAIiAFGCMgNJjKENR6COSCkwBELqYeIzJDOoAABAAAQAABAAAIAACAAAAAAAAAAAA== > 2-(4-acetyl-3-methyl-phenoxy)acetic acid > 2-(4-acetyl-3-methylphenoxy)acetic acid > 2-(4-acetyl-3-methylphenoxy)acetic acid > 2-(4-acetyl-3-methylphenoxy)acetic acid > 2-(4-ethanoyl-3-methyl-phenoxy)ethanoic acid > 2-(4-acetyl-3-methyl-phenoxy)acetic acid > InChI=1S/C11H12O4/c1-7-5-9(15-6-11(13)14)3-4-10(7)8(2)12/h3-5H,6H2,1-2H3,(H,13,14) > NLNKZKWLGCIXHH-UHFFFAOYSA-N > 1.5 > 208.07355886 > C11H12O4 > 208.21 > CC1=C(C=CC(=C1)OCC(=O)O)C(=O)C > CC1=C(C=CC(=C1)OCC(=O)O)C(=O)C > 63.6 > 208.07355886 > 0 > 15 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 5 6 8 5 7 8 6 9 8 7 8 8 8 10 8 9 10 8 $$$$