Mrv1533004261500142D 13 13 0 0 0 0 999 V2000 1.2448 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1842 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 2 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > NP0176171 > NP-MRD > CC1(C)C=CC(=O)C(=C1)C(Cl)CO > InChI=1S/C10H13ClO2/c1-10(2)4-3-9(13)7(5-10)8(11)6-12/h3-5,8,12H,6H2,1-2H3 > WMIMRGFYQPHFQY-UHFFFAOYSA-N > C10H13ClO2 > 200.66 > 200.0604074 > 2 > 26 > 20.309305559534774 > 1 > 1 > 0 > 1 > 2-(1-chloro-2-hydroxyethyl)-4,4-dimethylcyclohexa-2,5-dien-1-one > 1.49 > 1.9099437070000003 > -2.26 > 0 > 1 > 0 > 14.394909091351355 > -3.063466763442917 > 37.3 > 54.603 > 2 > 1 > 1.11e+00 g/l > 2-(1-chloro-2-hydroxyethyl)-4,4-dimethylcyclohexa-2,5-dien-1-one > 1 > NP0176171 > 2-(1-chloro-2-hydroxyethyl)-4,4-dimethylcyclohexa-2,5-dien-1-one $$$$