GNV
Summary
| Name: | 4-hydroxyquinoline-3,8-dicarboxylic acid |
| Formula: | C11 H7 N O5 |
| Formal charge: | 0 |
| Formula weight: | 233.177 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-hydroxyquinoline-3,8-dicarboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 4-oxidanylquinoline-3,8-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cc(c1c(c(c(C(O)=O)cn1)O)c2)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H7NO5/c13-9-5-2-1-3-6(10(14)15)8(5)12-4-7(9)11(16)17/h1-4H,(H,12,13)(H,14,15)(H,16,17) |
| InChIKey | InChI | 1.03 | YYLVBIBWUBXXRA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc2c(O)c(cnc12)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc2c(O)c(cnc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(c(c1)C(=O)O)ncc(c2O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(c(c1)C(=O)O)ncc(c2O)C(=O)O |
