X6P
Summary
| Name: | 3-(1-methylpyrrol-2-yl)benzoic acid |
| Formula: | C12 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 201.221 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(1-methylpyrrol-2-yl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H11NO2/c1-13-7-3-6-11(13)9-4-2-5-10(8-9)12(14)15/h2-8H,1H3,(H,14,15) |
| InChIKey | InChI | 1.03 | UIRGFNLTEWMULM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cccc1c2cccc(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | Cn1cccc1c2cccc(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cccc1c2cccc(c2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cccc1c2cccc(c2)C(=O)O |
