A1CXG
Summary
| Name: | 1-phenyl-1H-imidazole-4-carboxylic acid |
| Formula: | C10 H8 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 188.183 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-phenyl-1H-imidazole-4-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | 1-phenylimidazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)c1cn(cn1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H8N2O2/c13-10(14)9-6-12(7-11-9)8-4-2-1-3-5-8/h1-7H,(H,13,14) |
| InChIKey | InChI | 1.06 | DBYLAWFMMVZTRR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cn(cn1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cn(cn1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)n2cc(nc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)n2cc(nc2)C(=O)O |
