TXR
Summary
| Name: | 5-(3-carboxyphenyl)furan-2-carboxylic acid |
| Formula: | C12 H8 O5 |
| Formal charge: | 0 |
| Formula weight: | 232.189 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(3-carboxyphenyl)furan-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H8O5/c13-11(14)8-3-1-2-7(6-8)9-4-5-10(17-9)12(15)16/h1-6H,(H,13,14)(H,15,16) |
| InChIKey | InChI | 1.06 | IBQCYMBXLOYXCL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1oc(cc1)c2cccc(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1oc(cc1)c2cccc(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)O)c2ccc(o2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)O)c2ccc(o2)C(=O)O |
