AAE
Summary
| Name: | ACETOACETIC ACID |
| Formula: | C4 H6 O3 |
| Formal charge: | 0 |
| Formula weight: | 102.089 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-oxobutanoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-oxobutanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)CC(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7) |
| InChIKey | InChI | 1.03 | WDJHALXBUFZDSR-UHFFFAOYSA-N |
