p-Cresol http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=3741932c-f496-498d-8cc4-84cb37f4f90e 16 16 0 0 0 0 0 0 0999 V2000 2.8660 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 M END > 2879 > 1 > 62.8 > 1 > 1 > 0 > AAADccBgIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAAyBoAAAgCAAiBCAAACAAAgIAAIiAAGCIgIJiKCERKAcAAkwBEImAeAwAAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > p-cresol > p-cresol > 4-methylphenol > 4-methylphenol > p-cresol > InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3 > IWDCLRJOBJJRNH-UHFFFAOYSA-N > 1.9 > 108.057515 > C7H8O > 108.13782 > CC1=CC=C(C=C1)O > CC1=CC=C(C=C1)O > 20.2 > 108.057515 > 0 > 8 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 1 3 > 2 3 8 2 4 8 3 5 8 4 6 8 5 7 8 6 7 8