Mrv1652304272019032D 11 11 0 0 0 0 999 V2000 -2.0625 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 0.4125 -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 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.0000 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 -2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8876 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 8 2 0 0 0 0 6 8 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 3 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 M END > CDB005852 > CDB > CC(=C(O)O)C1=CC=CC=C1 > InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6,10-11H,1H3 > DYRMSRUTJIXVSH-UHFFFAOYSA-N > C9H10O2 > 150.177 > 150.068079562 > 2 > 21 > 15.996371377610728 > 1 > 2 > 0 > 0 > 2-phenylprop-1-ene-1,1-diol > 1.31 > 2.6970115853333336 > -1.93 > 0 > 1 > -1 > 10.093165568246045 > 2.37440806700143 > -8.189563391390148 > 40.46 > 53.2825 > 1 > 1 > 1.78e+00 g/l > 2-phenylprop-1-ene-1,1-diol > 0 > CDB005852 > Methylstyrene diol $$$$