OCA
Summary
| Name: | OCTANOIC ACID (CAPRYLIC ACID) |
| Formula: | C8 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 144.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | octanoic acid |
| OpenEye OEToolkits | 1.5.0 | octanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCC(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) |
| InChIKey | InChI | 1.03 | WWZKQHOCKIZLMA-UHFFFAOYSA-N |
