Q3C
Summary
| Name: | quinoline-3-carboxylic acid |
| Formula: | C10 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 173.168 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | quinoline-3-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | quinoline-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc2ccccc2nc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H7NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,(H,12,13) |
| InChIKey | InChI | 1.03 | DJXNJVFEFSWHLY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1cnc2ccccc2c1 |
| SMILES | CACTVS | 3.370 | OC(=O)c1cnc2ccccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)cc(cn2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)cc(cn2)C(=O)O |
