Mrv1652304272018232D 9 10 0 0 0 0 999 V2000 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7182 0.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9646 1.3276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 0.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 6 2 0 0 0 0 4 7 2 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 M END > CDB005468 > CDB > O1C=NC2=CC=CC=C12 > InChI=1S/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5H > BCMCBBGGLRIHSE-UHFFFAOYSA-N > C7H5NO > 119.1207 > 119.037113787 > 1 > 14 > 11.736839003118982 > 1 > 0 > 0 > 0 > 1,3-benzoxazole > 1.43 > 1.3198654066666666 > -0.98 > 0 > 2 > 0 > 0.18251552027088913 > 26.03 > 32.723099999999995 > 0 > 1 > 1.25e+01 g/l > benzoxazole > 1 > CDB005468 > Benzoxazole $$$$