BKA
Summary
| Name: | 3-oxoheptanoic acid |
| Formula: | C7 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 144.168 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-oxoheptanoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-oxoheptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(CCCC)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCC(=O)CC(O)=O |
| SMILES | CACTVS | 3.341 | CCCCC(=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCC(=O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCC(=O)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H12O3/c1-2-3-4-6(8)5-7(9)10/h2-5H2,1H3,(H,9,10) |
| InChIKey | InChI | 1.03 | PRRBQHNMYJRHFW-UHFFFAOYSA-N |
