KYD
Summary
| Name: | 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID |
| Formula: | C6 H8 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 140.14 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 3,5-dimethyl-1H-pyrazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H8N2O2/c1-3-5(6(9)10)4(2)8-7-3/h1-2H3,(H,7,8)(H,9,10) |
| InChIKey | InChI | 1.03 | IOOWDXMXZBYKLR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]nc(C)c1C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1[nH]nc(C)c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(n[nH]1)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(n[nH]1)C)C(=O)O |
