9TK
Summary
| Name: | 1-methylimidazole-2-carboxylic acid |
| Formula: | C5 H6 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 126.113 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-methylimidazole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H6N2O2/c1-7-3-2-6-4(7)5(8)9/h2-3H,1H3,(H,8,9) |
| InChIKey | InChI | 1.03 | WLDPWZQYAVZTTP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccnc1C(O)=O |
| SMILES | CACTVS | 3.385 | Cn1ccnc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1ccnc1C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1ccnc1C(=O)O |
