Summary
| Name: | ISOBUTYRIC ACID |
| Formula: | C4 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 88.105 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-methylpropanoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-methylpropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(C)C |
| InChI | InChI | 1.02b | InChI=1/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/f/h5H |
| InChIKey | InChI | 1.02b | KQNPFQTWMSNSAP-JSWHHWTPCI |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(=O)O |
