Mrv1533004171502102D 16 16 0 0 0 0 999 V2000 3.5085 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7941 -0.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7941 -1.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0796 0.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3651 -0.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6507 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1743 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8888 -0.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6033 0.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3178 -0.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8888 -1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6033 -1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1743 -1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2382 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7114 1.5646 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 7 14 1 0 0 0 0 6 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 M END > NP0317699 > NP-MRD > CC(=C)C(OO)C1C(COC(C)=O)C1(C)C > InChI=1S/C12H20O4/c1-7(2)11(16-14)10-9(12(10,4)5)6-15-8(3)13/h9-11,14H,1,6H2,2-5H3 > CEQHLAVWIQXFHI-UHFFFAOYSA-N > C12H20O4 > 228.288 > 228.136159124 > 3 > 36 > 24.585353353899826 > 1 > 1 > 0 > 1 > [3-(1-hydroperoxy-2-methylprop-2-en-1-yl)-2,2-dimethylcyclopropyl]methyl acetate > 2.36 > 1.7021995833333337 > -2.11 > 0 > 1 > 0 > 11.710062244698253 > -4.237818774169001 > 55.760000000000005 > 59.24389999999999 > 6 > 1 > 1.75e+00 g/l > [3-(1-hydroperoxy-2-methylprop-2-en-1-yl)-2,2-dimethylcyclopropyl]methyl acetate > 0 > NP0317699 > [3-(1-hydroperoxy-2-methylprop-2-en-1-yl)-2,2-dimethylcyclopropyl]methyl acetate $$$$