aurantoic acid

Properties Image MNX_ID MNXM1130354 reference chebi:230612 formula C12H13ClO2 global charge 0 mol weight 224.687 InChIKey XUUUHVRPNJADCG-HKNGRZMZSA-N InChI InChI=1S/C12H13ClO2/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h2-10H,1H3,(H,14,15)/b3-2+,6-4+,7-5+,10-8+,11-9- SMILES C/C(Cl)=C/C=C/C=C/C=C/C=C/C(=O)O MNX internals InChI (mnx) InChI=1/C12H13ClO2/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h2-10H,1H3,(H,14,15)/b3-2+,6-4+,7-5+,10-8+,11-9- SMILES (mnx) [CH3:1]/[C:11](=[CH:9]/[CH:7]=[CH:5]/[CH:3]=[CH:2]/[CH:4]=[CH:6]/[CH:8]=[CH:10]/[C:12](=[O:14])[OH:15])[Cl:13]

Parent-child relations graph

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