Obsolete: QND
Summary
| Name: | QUINALDIC ACID |
| Formula: | C10 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 173.168 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | quinoline-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | quinoline-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1nc2ccccc2cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccc2ccccc2n1 |
| SMILES | CACTVS | 3.341 | OC(=O)c1ccc2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)ccc(n2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)ccc(n2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) |
| InChIKey | InChI | 1.03 | LOAUVZALPPNFOQ-UHFFFAOYSA-N |
