9J3
Summary
| Name: | 4-ethoxy-4-oxobutanoic acid |
| Formula: | C6 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 146.141 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-ethoxy-4-oxobutanoic acid |
| OpenEye OEToolkits | 2.0.6 | 4-ethoxy-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)CCC(=O)OCC |
| InChI | InChI | 1.03 | InChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8) |
| InChIKey | InChI | 1.03 | LOLKAJARZKDJTD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CCC(O)=O |
| SMILES | CACTVS | 3.385 | CCOC(=O)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)CCC(=O)O |
