M83
Summary
| Name: | 5-(3-cyanophenyl)furan-2-carboxylic acid |
| Formula: | C12 H7 N O3 |
| Formal charge: | 0 |
| Formula weight: | 213.189 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(3-cyanophenyl)furan-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H7NO3/c13-7-8-2-1-3-9(6-8)10-4-5-11(16-10)12(14)15/h1-6H,(H,14,15) |
| InChIKey | InChI | 1.03 | ZBBYBWMLIOUQRN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1oc(cc1)c2cccc(c2)C#N |
| SMILES | CACTVS | 3.385 | OC(=O)c1oc(cc1)c2cccc(c2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)c2ccc(o2)C(=O)O)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)c2ccc(o2)C(=O)O)C#N |
