3-Hydroxyphenylglycine.mol Mrv1652303211819022D 12 12 0 0 0 0 999 V2000 -1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 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 1 1 0 0 0 0 6 7 2 0 0 0 0 3 8 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 M END > T3D5003 > t3db > OC(=O)CC1=CC(=O)C=CC1=O > InChI=1S/C8H6O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12) > RAPRJRLALQKSHB-UHFFFAOYSA-N > C8H6O4 > 166.1308 > 166.02660868 > 4 > 18 > 14.582014124643841 > 1 > 1 > 0 > 0 > 2-(3,6-dioxocyclohexa-1,4-dien-1-yl)acetic acid > 0.41 > 0.5439912006666665 > -1.48 > 0 > 1 > -1 > 3.876752047836376 > -8.471923452091904 > 71.44 > 41.652300000000004 > 2 > 1 > 5.46e+00 g/l > benzoquinoneacetic acid > 0 > T3D5003 > Benzoquinoneacetic acid > 10275-07-7 $$$$