Mrv1652306242120043D 29 31 0 0 0 0 999 V2000 -5.5669 -0.0164 -1.1006 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0328 0.7148 -0.0233 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7019 0.1837 0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5144 -0.7862 1.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2456 -1.2728 1.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 -0.7566 0.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1502 -0.9572 1.0194 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7785 -0.1917 0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -0.1107 -0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1011 -0.9131 0.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4566 -0.8347 0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9557 0.0563 -0.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3076 0.1736 -0.8372 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0866 0.8611 -1.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7373 0.7576 -0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1438 0.5626 -0.4538 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3376 0.2207 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6016 0.7029 -0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7978 -0.3355 -1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9029 1.7595 -0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7380 0.7129 0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3623 -1.1913 1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1243 -2.0427 2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7123 -1.5987 1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1526 -1.4565 0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7513 -0.3967 -1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4656 1.5562 -1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0412 1.3823 -1.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 1.4750 -1.0550 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 2 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 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 8 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 3 1 0 0 0 0 17 6 1 0 0 0 0 15 9 1 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 4 22 1 0 0 0 0 5 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 18 29 1 0 0 0 0 M END > NP0014552 > NP-MRD > [H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C([H])C(=C([H])C([H])=C2O1)C([H])([H])O[H] > InChI=1S/C14H11NO3/c16-8-9-1-6-13-12(7-9)15-14(18-13)10-2-4-11(17)5-3-10/h1-7,16-17H,8H2 > CSCMODQTLPIEMH-UHFFFAOYSA-N > C14H11NO3 > 241.246 > 241.073893218 > 3 > 29 > 25.889008756023166 > 1 > 2 > 0 > 1 > 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol > 2.59 > 2.273720567 > -2.96 > 0 > 3 > 0 > 14.771813502084168 > 9.046532745198396 > 0.12283137273986866 > 66.49000000000001 > 76.62150000000001 > 2 > 1 > 2.65e-01 g/l > 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol > 0 > NP0014552 > Nocarbenzoxazole F $$$$