EWG
Summary
| Name: | 3-(1H-pyrazol-4-yl)benzoic acid |
| Formula: | C10 H8 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 188.183 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(1H-pyrazol-4-yl)benzoic acid |
| OpenEye OEToolkits | 2.0.6 | 3-(1~{H}-pyrazol-4-yl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cnnc1)c2cc(C(O)=O)ccc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H8N2O2/c13-10(14)8-3-1-2-7(4-8)9-5-11-12-6-9/h1-6H,(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.03 | BXSUQWZHUHROLP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(c1)c2c[nH]nc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc(c1)c2c[nH]nc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)O)c2c[nH]nc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)O)c2c[nH]nc2 |
