4059 -OEChem-03292404182D 27 27 0 1 0 0 0 0 0999 V2000 3.7320 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 7 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 M END > 4059 > 1 > 138 > 3 > 2 > 4 > AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADBSgmAIyBoAABgCAAiBCAAACCAAgIAAIiAAGCIgNNiKEMRqCeCClwBELqAeAwCAOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA== > 3-(2-methylphenoxy)propane-1,2-diol > 3-(2-methylphenoxy)propane-1,2-diol > 3-(2-methylphenoxy)propane-1,2-diol > 3-(2-methylphenoxy)propane-1,2-diol > 3-(2-methylphenoxy)propane-1,2-diol > 3-(2-methylphenoxy)propane-1,2-diol > InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3 > JWDYCNIAQWPBHD-UHFFFAOYSA-N > 1.4 > 182.094294304 > C10H14O3 > 182.22 > CC1=CC=CC=C1OCC(CO)O > CC1=CC=CC=C1OCC(CO)O > 49.7 > 182.094294304 > 0 > 13 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 13 8 12 13 8 4 2 3 6 8 8 6 9 8 8 10 8 9 12 8 $$$$