ZJA
Summary
| Name: | 5-(2-methylphenyl)thiophene-2-carboxylic acid |
| Formula: | C12 H10 O2 S |
| Formal charge: | 0 |
| Formula weight: | 218.272 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(2-methylphenyl)thiophene-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 5-(2-methylphenyl)thiophene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)c1ccc(s1)c1ccccc1C |
| InChI | InChI | 1.03 | InChI=1S/C12H10O2S/c1-8-4-2-3-5-9(8)10-6-7-11(15-10)12(13)14/h2-7H,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | BSOIGQKKGJNDJD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1c2sc(cc2)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccccc1c2sc(cc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1c2ccc(s2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1c2ccc(s2)C(=O)O |
