R9M
Summary
| Name: | 3-(1,3-thiazol-2-yl)propanoic acid |
| Formula: | C6 H7 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 157.19 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(1,3-thiazol-2-yl)propanoic acid |
| OpenEye OEToolkits | 2.0.6 | 3-(1,3-thiazol-2-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(O)=O)Cc1nccs1 |
| InChI | InChI | 1.03 | InChI=1S/C6H7NO2S/c8-6(9)2-1-5-7-3-4-10-5/h3-4H,1-2H2,(H,8,9) |
| InChIKey | InChI | 1.03 | OJTQVDTVCPIZQH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1sccn1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCc1sccn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1csc(n1)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1csc(n1)CCC(=O)O |
