A1AWY
Summary
| Name: | 3-bromo-3-oxopropanoic acid |
| Formula: | C3 H3 Br O3 |
| Formal charge: | 0 |
| Formula weight: | 166.958 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-bromo-3-oxopropanoic acid |
| OpenEye OEToolkits | 2.0.7 | 3-bromanyl-3-oxidanylidene-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | BrC(=O)CC(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C3H3BrO3/c4-2(5)1-3(6)7/h1H2,(H,6,7) |
| InChIKey | InChI | 1.06 | RSZXDOPLBKMETA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CC(Br)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CC(Br)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(C(=O)O)C(=O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C(=O)O)C(=O)Br |
