3-Methylsuberic acid

Properties Image MNX_ID MNXM150974 reference chebi:89847 formula C9H16O4 global charge 0 mol weight 188.223 InChIKey QIOYMVALOOEDDF-UHFFFAOYSA-N InChI InChI=1S/C9H16O4/c1-7(6-9(12)13)4-2-3-5-8(10)11/h7H,2-6H2,1H3,(H,10,11)(H,12,13) SMILES CC(CCCCC(=O)O)CC(=O)O MNX internals InChI (mnx) InChI=1/C9H16O4/c1-7(6-9(12)13)4-2-3-5-8(10)11/h7H,2-6H2,1H3,(H,10,11)(H,12,13)/t7? SMILES (mnx) [CH3:1][CH:7]([CH2:4][CH2:2][CH2:3][CH2:5][C:8](=[O:10])[OH:11])[CH2:6][C:9](=[O:12])[OH:13]

Parent-child relations graph

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