7N5
Summary
| Name: | 2-Ketohexanoic acid |
| Formula: | C6 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 130.142 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-oxidanylidenehexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9) |
| InChIKey | InChI | 1.06 | XNIHZNNZJHYHLC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC(=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(=O)C(=O)O |
