Mrv1652304272018452D 12 12 0 0 0 0 999 V2000 1.6500 1.4290 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 0.8250 1.4290 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 -1.6500 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 -0.8250 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 -2.0625 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 9 10 2 0 0 0 0 10 12 1 0 0 0 0 M END > CDB005688 > CDB > CCC1=CC(C(C)=O)=C(O)C=C1 > InChI=1S/C10H12O2/c1-3-8-4-5-10(12)9(6-8)7(2)11/h4-6,12H,3H2,1-2H3 > GSTOHKXQBZZTPF-UHFFFAOYSA-N > C10H12O2 > 164.204 > 164.083729626 > 2 > 24 > 17.987743634355425 > 1 > 1 > 0 > 1 > 1-(5-ethyl-2-hydroxyphenyl)ethan-1-one > 2.57 > 2.8353180673333336 > -2.32 > 0 > 1 > 0 > 16.471438433813013 > 9.459898913972271 > -5.155810080878216 > 37.3 > 48.08390000000001 > 2 > 1 > 7.88e-01 g/l > 1-(5-ethyl-2-hydroxyphenyl)ethanone > 1 > CDB005688 > 5'-Ethyl-2'-hydroxyacetophenone $$$$