IVA
Summary
| Name: | ISOVALERIC ACID |
| Formula: | C5 H10 O2 |
| Formal charge: | 0 |
| Formula weight: | 102.132 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-methylbutanoic acid |
| OpenEye OEToolkits | 1.7.0 | 3-methylbutanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)CC(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) |
| InChIKey | InChI | 1.03 | GWYFCOCPABKNJV-UHFFFAOYSA-N |
