I7S
Summary
| Name: | 6-methylpyridine-2,3-dicarboxylic acid |
| Formula: | C8 H7 N O4 |
| Formal charge: | 0 |
| Formula weight: | 181.145 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-methylpyridine-2,3-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H7NO4/c1-4-2-3-5(7(10)11)6(9-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.06 | PHQBKLKZIXCRIX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(C(O)=O)c(n1)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(C(O)=O)c(n1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(n1)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(n1)C(=O)O)C(=O)O |
