EAC
Summary
Name: | ethyl 3-oxobutanoate |
Formula: | C6 H10 O3 |
Formal charge: | 0 |
Formula weight: | 130.142 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | ethyl 3-oxobutanoate |
OpenEye OEToolkits | 1.7.6 | ethyl 3-oxidanylidenebutanoate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(C)CC(=O)OCC |
InChI | InChI | 1.03 | InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3 |
InChIKey | InChI | 1.03 | XYIBRDXRRQCHLP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCOC(=O)CC(C)=O |
SMILES | CACTVS | 3.370 | CCOC(=O)CC(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOC(=O)CC(=O)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCOC(=O)CC(=O)C |