OOA
Summary
| Name: | 3-OXOOCTANOIC ACID |
| Formula: | C8 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 158.195 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-oxooctanoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-oxooctanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(=O)CCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCC(=O)CC(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCC(=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCC(=O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC(=O)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-6H2,1H3,(H,10,11) |
| InChIKey | InChI | 1.03 | FWNRRWJFOZIGQZ-UHFFFAOYSA-N |
