3LA
Summary
| Name: | 3-OXODODECANOIC ACID |
| Synonyms: | 3-OXO-LAURIC ACID |
| Formula: | C12 H22 O3 |
| Formal charge: | 0 |
| Formula weight: | 214.301 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-oxododecanoic acid |
| OpenEye OEToolkits | 1.6.1 | 3-oxododecanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(CCCCCCCCC)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.352 | CCCCCCCCCC(=O)CC(O)=O |
| SMILES | CACTVS | 3.352 | CCCCCCCCCC(=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CCCCCCCCCC(=O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CCCCCCCCCC(=O)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h2-10H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.03 | DZHSPYMHDVROSM-UHFFFAOYSA-N |
