compound 0084929

Properties Image MNX_ID MNXM1191852 reference envipathM:...eafcc2c61997 formula C12H14Cl2O2 global charge 0 mol weight 261.148 InChIKey BJWZRUWYAPDPTG-UHFFFAOYSA-N InChI InChI=1S/C12H14Cl2O2/c13-7-3-12(14)2-6(7)8-4-1-5(9(8)12)11(16)10(4)15/h4-10,15H,1-3H2 SMILES O=C1C(O)C2CC1C1C2C2CC1(Cl)CC2Cl MNX internals InChI (mnx) InChI=1/C12H14Cl2O2/c13-7-3-12(14)2-6(7)8-4-1-5(9(8)12)11(16)10(4)15/h4-10,15H,1-3H2/t4?,5?,6?,7?,8?,9?,10?,12? SMILES (mnx) [CH2:1]1[CH:4]2[CH:8]3[CH:6]4[CH2:2][C:12]([Cl:14])([CH2:3][CH:7]4[Cl:13])[CH:9]3[CH:5]1[C:11](=[O:16])[CH:10]2[OH:15]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0