Mrv1652306242117263D 32 32 0 0 0 0 999 V2000 4.6959 -0.7542 -0.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3456 -0.1330 -1.0351 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4080 -0.4488 0.1180 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0543 0.1855 -0.1345 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0858 -0.0856 0.9772 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2136 0.5463 0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3702 1.8422 1.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5117 2.5222 0.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4635 1.9188 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3423 0.6077 -0.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3246 0.0498 -1.1954 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2018 -0.0850 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9163 -1.4881 -0.4579 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8435 -2.1462 -1.2127 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7331 -1.1274 0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8894 -1.5975 -1.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4948 0.0182 -0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9055 -0.4920 -1.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 0.9671 -1.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8092 -0.0542 1.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3389 -1.5499 0.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7311 -0.0982 -1.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2334 1.3092 -0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4418 0.3386 1.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0365 -1.1752 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6231 2.3445 1.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6403 3.5598 1.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3898 2.4232 -0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4703 -0.8102 -1.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8936 -2.0166 0.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8804 -1.6122 -0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5374 -2.9588 -1.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 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 10 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 6 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 11 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 M END > NP0016033 > NP-MRD > [H]OC1=C(C(=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])O[H] > InChI=1S/C12H18O2/c1-2-3-4-6-10-7-5-8-12(14)11(10)9-13/h5,7-8,13-14H,2-4,6,9H2,1H3 > BVZSJLRAINTEAD-UHFFFAOYSA-N > C12H18O2 > 194.274 > 194.13067982 > 2 > 32 > 22.898581246474325 > 1 > 2 > 0 > 1 > 2-(hydroxymethyl)-3-pentylphenol > 3.06 > 3.194026776333333 > -2.54 > 0 > 1 > 0 > 15.111632539328799 > 10.022090062818203 > -2.917866245480468 > 40.46 > 58.300000000000004 > 5 > 1 > 5.66e-01 g/l > 2-(hydroxymethyl)-3-pentylphenol > 0 > NP0016033 > 2-hydroxymethyl-3-pentylphenol $$$$