compound 0096632

Properties Image MNX_ID MNXM1189888 reference envipathM:...a57eb23c98b2 formula C12H13ClO3 global charge 0 mol weight 240.686 InChIKey ORYNIGHZJLYLLT-UHFFFAOYSA-N InChI InChI=1S/C12H13ClO3/c13-9-4-1-2-5(9)8-7(4)6-3-12(8,16)11(15)10(6)14/h1-2,4-9,11,15-16H,3H2 SMILES O=C1C2CC(O)(C1O)C1C3C=CC(C3Cl)C21 MNX internals InChI (mnx) InChI=1/C12H13ClO3/c13-9-4-1-2-5(9)8-7(4)6-3-12(8,16)11(15)10(6)14/h1-2,4-9,11,15-16H,3H2/t4?,5?,6?,7?,8?,9?,11?,12? SMILES (mnx) [CH:1]1=[CH:2][CH:5]2[CH:8]3[CH:7]([CH:4]1[CH:9]2[Cl:13])[CH:6]1[CH2:3][C:12]3([OH:16])[CH:11]([OH:15])[C:10]1=[O:14]

Parent-child relations graph

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