70408335 -OEChem-03282404152D 31 31 0 0 0 0 0 0 0999 V2000 3.7320 -2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -4.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -3.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 15 1 0 0 0 0 2 15 2 0 0 0 0 3 17 1 0 0 0 0 3 31 1 0 0 0 0 4 17 2 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 12 1 0 0 0 0 6 14 2 3 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 9 11 2 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 17 1 0 0 0 0 14 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 M END > 70408335 > 1 > 311 > 4 > 1 > 5 > AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAAyDoAABgCIAiDSCAACCAAgIAAIiAEGCMgMJiKEMRqCOiCkwBEIuQeAwIAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > 3-(4-propanoyloxyphenyl)but-2-enoic acid > 3-[4-(1-oxopropoxy)phenyl]-2-butenoic acid > 3-(4-propanoyloxyphenyl)but-2-enoic acid > 3-(4-propanoyloxyphenyl)but-2-enoic acid > 3-(4-propanoyloxyphenyl)but-2-enoic acid > 3-(4-propionyloxyphenyl)but-2-enoic acid > InChI=1S/C13H14O4/c1-3-13(16)17-11-6-4-10(5-7-11)9(2)8-12(14)15/h4-8H,3H2,1-2H3,(H,14,15) > USGCDODDHDQAIN-UHFFFAOYSA-N > 2.7 > 234.08920892 > C13H14O4 > 234.25 > CCC(=O)OC1=CC=C(C=C1)C(=CC(=O)O)C > CCC(=O)OC1=CC=C(C=C1)C(=CC(=O)O)C > 63.6 > 234.08920892 > 0 > 17 > 0 > 0 > 0 > 1 > 0 > 1 > -1 > 1 5 255 > 5 8 8 5 9 8 6 14 1 7 10 8 7 11 8 8 10 8 9 11 8 $$$$