4MV
Summary
| Name: | 4-METHYL VALERIC ACID |
| Formula: | C6 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 116.158 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-methylpentanoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-methylpentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)CCC(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey | InChI | 1.03 | FGKJLKRYENPLQH-UHFFFAOYSA-N |
