KYA
Summary
| Name: | 4-hydroxyquinoline-2-carboxylic acid |
| Synonyms: | Kynurenic acid |
| Formula: | C10 H7 N O3 |
| Formal charge: | 0 |
| Formula weight: | 189.167 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-hydroxyquinoline-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.0 | 4-hydroxyquinoline-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1nc2ccccc2c(O)c1 |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1cc(O)c2ccccc2n1 |
| SMILES | CACTVS | 3.370 | OC(=O)c1cc(O)c2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)c(cc(n2)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)c(cc(n2)C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.03 | HCZHHEIFKROPDY-UHFFFAOYSA-N |
