9X7
Summary
| Name: | ethyl 2-oxopropanoate |
| Formula: | C5 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 116.115 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl 2-oxopropanoate |
| OpenEye OEToolkits | 2.0.6 | ethyl 2-oxidanylidenepropanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCOC(=O)C(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3 |
| InChIKey | InChI | 1.03 | XXRCUYVCPSWGCC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)C(C)=O |
| SMILES | CACTVS | 3.385 | CCOC(=O)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)C(=O)C |
