PR6
Summary
| Name: | 3-chloro-3-oxopropanoic acid |
| Formula: | C3 H3 Cl O3 |
| Formal charge: | 0 |
| Formula weight: | 122.507 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-chloro-3-oxopropanoic acid |
| OpenEye OEToolkits | 1.7.0 | 3-chloro-3-oxo-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ClC(=O)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CC(Cl)=O |
| SMILES | CACTVS | 3.370 | OC(=O)CC(Cl)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(C(=O)O)C(=O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(C(=O)O)C(=O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C3H3ClO3/c4-2(5)1-3(6)7/h1H2,(H,6,7) |
| InChIKey | InChI | 1.03 | UUOFSRVHZJTWDE-UHFFFAOYSA-N |
