4AT
Summary
| Name: | 5-OXOHEXANOIC ACID |
| Synonyms: | 4-ACETYLBUTYRIC ACID |
| Formula: | C6 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 130.142 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-oxohexanoic acid |
| OpenEye OEToolkits | 1.5.0 | 5-oxohexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C)CCCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)CCCC(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)CCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)CCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)CCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9) |
| InChIKey | InChI | 1.03 | MGTZCLMLSSAXLD-UHFFFAOYSA-N |
