WOV
Summary
| Name: | 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid |
| Formula: | C13 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 231.247 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid |
| OpenEye OEToolkits | 2.0.7 | 2-(2,5-dimethylpyrrol-1-yl)-5-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(C)ccc(n1c2ccc(cc2C(O)=O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)12-6-5-10(15)7-11(12)13(16)17/h3-7,15H,1-2H3,(H,16,17) |
| InChIKey | InChI | 1.03 | BTNJQFIFTBDRAH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(C)n1c2ccc(O)cc2C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(C)n1c2ccc(O)cc2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(n1c2ccc(cc2C(=O)O)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(n1c2ccc(cc2C(=O)O)O)C |
