COI
Summary
| Name: | 2-OXO-4-METHYLPENTANOIC ACID |
| Synonyms: | alpha-ketoisocaproic acid |
| Formula: | C6 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 130.142 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-methyl-2-oxopentanoic acid |
| OpenEye OEToolkits | 1.7.6 | 4-methyl-2-oxidanylidene-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C(=O)O)CC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) |
| InChIKey | InChI | 1.03 | BKAJNAXTPSGJCU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)CC(=O)C(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)CC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)CC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(=O)C(=O)O |
