Mrv1652304282204482D 13 13 0 0 1 0 999 V2000 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 1.2375 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 2.1434 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3272 1.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 1.9659 0.0000 C 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 1 6 1 0 0 0 0 6 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 M END > NP0057350 > NP-MRD > CC1(C)C=CC(=O)C(=C1)[C@H](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/t8-/m1/s1 > WMIMRGFYQPHFQY-MRVPVSSYSA-N > C10H13ClO2 > 200.66 > 200.0604074 > 2 > 26 > 20.310388183200438 > 1 > 1 > 0 > 1 > 2-[(1S)-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 > 54.602999999999994 > 2 > 1 > 1.11e+00 g/l > 2-[(1S)-1-chloro-2-hydroxyethyl]-4,4-dimethylcyclohexa-2,5-dien-1-one > 1 > NP0057350 > 2-Chloro-1hydroxy-3(8),5-ochtodien-4-one $$$$