QTU
Summary
| Name: | 3-(thiophen-2-yl)propanoic acid |
| Formula: | C7 H8 O2 S |
| Formal charge: | 0 |
| Formula weight: | 156.202 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(thiophen-2-yl)propanoic acid |
| OpenEye OEToolkits | 2.0.7 | 3-thiophen-2-ylpropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CCc1cccs1)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H8O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9) |
| InChIKey | InChI | 1.03 | MJPVYTKZYZPIQA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1sccc1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCc1sccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)CCC(=O)O |
