GOJ
Summary
| Name: | ethyl 1~{H}-pyrazole-4-carboxylate |
| Formula: | C6 H8 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 140.14 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ethyl 1~{H}-pyrazole-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8) |
| InChIKey | InChI | 1.03 | KACZQOKEFKFNDB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1c[nH]nc1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1c[nH]nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)c1c[nH]nc1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)c1c[nH]nc1 |
