HQ3
Summary
| Name: | 5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid |
| Formula: | C12 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 216.236 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O2/c1-9-7-13-11(12(15)16)14(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | XEZPQNRXMLVHHC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cnc(n1Cc2ccccc2)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1cnc(n1Cc2ccccc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc(n1Cc2ccccc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(n1Cc2ccccc2)C(=O)O |
