compound 0095895

Properties Image MNX_ID MNXM1173651 reference envipathM:...86269a860c3f formula C12H13ClO3 global charge 0 mol weight 240.686 InChIKey LWXLGSPLCYMINC-UHFFFAOYSA-N InChI InChI=1S/C12H13ClO3/c13-11-4-1-2-12(11,16)8-6-3-5(7(4)8)9(14)10(6)15/h1-2,4-9,11,14,16H,3H2 SMILES O=C1C(O)C2CC1C1C2C2C=CC1(O)C2Cl MNX internals InChI (mnx) InChI=1/C12H13ClO3/c13-11-4-1-2-12(11,16)8-6-3-5(7(4)8)9(14)10(6)15/h1-2,4-9,11,14,16H,3H2/t4?,5?,6?,7?,8?,9?,11?,12? SMILES (mnx) [CH:1]1=[CH:2][C:12]2([OH:16])[CH:8]3[CH:6]4[CH2:3][CH:5]([CH:7]3[CH:4]1[CH:11]2[Cl:13])[CH:9]([OH:14])[C:10]4=[O:15]

Parent-child relations graph

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