ZZA
Summary
| Name: | 1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID |
| Formula: | C10 H8 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 188.183 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-phenyl-1H-pyrazole-4-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 1-phenylpyrazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1cn(nc1)c2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cnn(c1)c2ccccc2 |
| SMILES | CACTVS | 3.341 | OC(=O)c1cnn(c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)n2cc(cn2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)n2cc(cn2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H8N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H,(H,13,14) |
| InChIKey | InChI | 1.03 | ZROILLPDIUNLSE-UHFFFAOYSA-N |
