Mrv1533004231521172D 15 17 0 0 0 0 999 V2000 0.2498 -4.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5047 -3.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0473 -2.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2076 -1.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0146 -1.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5666 -2.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3117 -3.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 -0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 0.1576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8388 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3237 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8388 -0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.6674 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 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 2 7 1 0 0 0 0 5 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 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 8 15 2 0 0 0 0 11 15 1 0 0 0 0 M END > NP0234662 > NP-MRD > OC1=CC=C(C=C1)C1=C2CCCN2N=C1 > InChI=1S/C12H12N2O/c15-10-5-3-9(4-6-10)11-8-13-14-7-1-2-12(11)14/h3-6,8,15H,1-2,7H2 > PPTCAFUWKZJKJY-UHFFFAOYSA-N > C12H12N2O > 200.241 > 200.094963014 > 2 > 27 > 21.835607280888176 > 1 > 1 > 0 > 1 > 4-{4H,5H,6H-pyrrolo[1,2-b]pyrazol-3-yl}phenol > 2.15 > 1.9933167489999999 > -2.20 > 0 > 3 > 0 > 9.657608566014696 > 2.5115792323728114 > 38.050000000000004 > 70.0206 > 1 > 1 > 1.26e+00 g/l > 4-{4H,5H,6H-pyrrolo[1,2-b]pyrazol-3-yl}phenol > 1 > NP0234662 > 4-{4h,5h,6h-pyrrolo[1,2-b]pyrazol-3-yl}phenol $$$$