9KH
Summary
| Name: | 6-carboxy methyl-4-hydroxy-2-pyridinol |
| Formula: | C8 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 183.161 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[3-methyl-4,6-bis(oxidanyl)pyridin-2-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H9NO4/c1-4-5(2-8(12)13)9-7(11)3-6(4)10/h3H,2H2,1H3,(H,12,13)(H2,9,10,11) |
| InChIKey | InChI | 1.03 | MGGXBHMHJPCYSF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(O)cc(O)nc1CC(O)=O |
| SMILES | CACTVS | 3.385 | Cc1c(O)cc(O)nc1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(cc(nc1CC(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(cc(nc1CC(=O)O)O)O |
