A1I21
Summary
| Name: | isoquinoline-6-carboxylic acid |
| Formula: | C10 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 173.168 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | isoquinoline-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H7NO2/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8/h1-6H,(H,12,13) |
| InChIKey | InChI | 1.06 | ADAHADRJWVCICR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2cnccc2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2cnccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2cnccc2cc1C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cnccc2cc1C(=O)O |
