K7A
Summary
| Name: | 5-hydroxypyrazine-2,3-dicarboxylic acid |
| Formula: | C6 H4 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 184.106 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-hydroxypyrazine-2,3-dicarboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 5-oxidanylpyrazine-2,3-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(c(C(O)=O)ncc(n1)O)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C6H4N2O5/c9-2-1-7-3(5(10)11)4(8-2)6(12)13/h1H,(H,8,9)(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.03 | IEFXAUUVZLXLNL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ncc(O)nc1C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1ncc(O)nc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(nc(c(n1)C(=O)O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(nc(c(n1)C(=O)O)C(=O)O)O |
