Mrv1652306242104263D 27 27 0 0 0 0 999 V2000 -3.3153 -0.9845 0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6107 0.0392 0.0741 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4987 1.2813 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3981 0.3023 0.6604 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1035 0.1116 0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8892 0.5386 1.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 0.3804 0.9489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6242 -0.1951 -0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0654 -0.3825 -0.5626 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8190 0.1163 0.4943 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -0.6056 -1.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2831 -0.4624 -0.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6329 -0.8954 -1.7872 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -0.3876 1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1334 -1.4770 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5362 -1.6803 1.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6195 -0.4400 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8728 1.4330 -1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4030 1.1709 0.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8841 2.1272 0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6057 0.9930 2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0007 0.7103 1.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2442 -1.4723 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2704 0.1318 -1.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4448 0.8256 0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9106 -1.0743 -2.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3267 -1.3151 -2.6437 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 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 12 13 1 0 0 0 0 12 5 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 13 27 1 0 0 0 0 M END > NP0017588 > NP-MRD > [H]OC1=C([H])C(=C([H])C([H])=C1OC([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H] > InChI=1S/C10H14O3/c1-7(2)13-10-4-3-8(6-11)5-9(10)12/h3-5,7,11-12H,6H2,1-2H3 > AXPPFTDKQVVHTJ-UHFFFAOYSA-N > C10H14O3 > 182.219 > 182.094294311 > 3 > 27 > 19.95544369191822 > 1 > 2 > 0 > 1 > 5-(hydroxymethyl)-2-(propan-2-yloxy)phenol > 1.42 > 1.5180424406666666 > -1.75 > 0 > 1 > 0 > 15.176454570765703 > 9.783466294021077 > -2.817777271820252 > 49.69 > 50.485400000000006 > 3 > 1 > 3.23e+00 g/l > 5-(hydroxymethyl)-2-isopropoxyphenol > 0 > NP0017588 > 5-hydroxymethyl-2-isopropoxyphenol $$$$