7O4
Summary
| Name: | 3-(furan-2-yl)-1H-pyrazole-5-carboxylic acid |
| Formula: | C8 H6 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 178.145 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(furan-2-yl)-1H-pyrazole-5-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 3-(furan-2-yl)-1~{H}-pyrazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(occ1)c2nnc(c2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H6N2O3/c11-8(12)6-4-5(9-10-6)7-2-1-3-13-7/h1-4H,(H,9,10)(H,11,12) |
| InChIKey | InChI | 1.03 | GKPSFQIKCROJOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1[nH]nc(c1)c2occc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1[nH]nc(c1)c2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(oc1)c2cc([nH]n2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(oc1)c2cc([nH]n2)C(=O)O |
