2-(2-carboxylethyl)-3-isoxazolin-5-one

Properties Image MNX_ID MNXM150418 reference metacycM:CPD-16451 formula C6H6NO4 global charge -1 mol weight 156.117 InChIKey VMNRJSTVDJEIPJ-UHFFFAOYSA-M InChI InChI=1S/C6H7NO4/c8-5(9)1-3-7-4-2-6(10)11-7/h2,4H,1,3H2,(H,8,9)/p-1 SMILES O=C([O-])CCN1C=CC(=O)O1 MNX internals InChI (mnx) InChI=1/C6H7NO4/c8-5(9)1-3-7-4-2-6(10)11-7/h2,4H,1,3H2,(H,8,9) SMILES (mnx) [CH2:1]([CH2:3][N:7]1[CH:4]=[CH:2][C:6](=[O:10])[O:11]1)[C:5](=[O:8])[OH:9]

Parent-child relations graph

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