NIO
Summary
| Name: | NICOTINIC ACID |
| Formula: | C6 H5 N O2 |
| Formal charge: | 0 |
| Formula weight: | 123.109 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | pyridine-3-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | pyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1cccnc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cccnc1 |
| SMILES | CACTVS | 3.341 | OC(=O)c1cccnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cnc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cnc1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) |
| InChIKey | InChI | 1.03 | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
