HKR
Summary
| Name: | 1-propylimidazole-2-carboxylic acid |
| Formula: | C7 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 154.166 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-propylimidazole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H10N2O2/c1-2-4-9-5-3-8-6(9)7(10)11/h3,5H,2,4H2,1H3,(H,10,11) |
| InChIKey | InChI | 1.03 | UYQIJWNHWBWSBU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCn1ccnc1C(O)=O |
| SMILES | CACTVS | 3.385 | CCCn1ccnc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCn1ccnc1C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCn1ccnc1C(=O)O |
