0OB
Summary
| Name: | 3-(1-benzothiophen-2-yl)propanoic acid |
| Formula: | C11 H10 O2 S |
| Formal charge: | 0 |
| Formula weight: | 206.261 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(1-benzothiophen-2-yl)propanoic acid |
| OpenEye OEToolkits | 1.7.6 | 3-(1-benzothiophen-2-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCc2sc1ccccc1c2 |
| InChI | InChI | 1.03 | InChI=1S/C11H10O2S/c12-11(13)6-5-9-7-8-3-1-2-4-10(8)14-9/h1-4,7H,5-6H2,(H,12,13) |
| InChIKey | InChI | 1.03 | KWKJBEPHOXIJJN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CCc1sc2ccccc2c1 |
| SMILES | CACTVS | 3.370 | OC(=O)CCc1sc2ccccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)cc(s2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)cc(s2)CCC(=O)O |
