Mrv1533004201500072D 14 15 0 0 0 0 999 V2000 4.7812 4.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 3.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 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 4 2 1 4 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 11 12 1 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 6 14 1 0 0 0 0 M END > NP0313778 > NP-MRD > OC(=O)C=CC1=CC=C2OCOC2=C1 > InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12) > QFQYZMGOKIROEC-UHFFFAOYSA-N > C10H8O4 > 192.17 > 192.042258738 > 4 > 22 > 18.612240968410163 > 1 > 1 > 0 > 1 > 3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid > 1.59 > 1.7593197276666666 > -2.21 > 0 > 2 > -1 > 3.5510598319987015 > -4.741727412988531 > 55.760000000000005 > 48.826800000000006 > 2 > 1 > 1.19e+00 g/l > 3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid > 0 > NP0313778 > 3-(2h-1,3-benzodioxol-5-yl)prop-2-enoic acid $$$$