60Q
Summary
| Name: | 2-pyrrol-1-ylbenzoic acid |
| Formula: | C11 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 187.195 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 2-pyrrol-1-ylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H9NO2/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H,(H,13,14) |
| InChIKey | InChI | 1.03 | GNWTWXOZRSBCOZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1n2cccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1n2cccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(c(c1)C(=O)O)n2cccc2 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(c(c1)C(=O)O)n2cccc2 |
