0JI
Summary
| Name: | 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid |
| Formula: | C10 H9 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 203.197 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H9N3O2/c1-7-9(10(14)15)11-12-13(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15) |
| InChIKey | InChI | 1.03 | RRHCZOBPABYIJZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1n(nnc1C(O)=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | Cc1n(nnc1C(O)=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(nnn1c2ccccc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(nnn1c2ccccc2)C(=O)O |
