WOC
Summary
| Name: | 2,2-dimethylbutanedioic acid |
| Formula: | C6 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 146.141 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,2-dimethylbutanedioic acid |
| OpenEye OEToolkits | 1.7.6 | 2,2-dimethylbutanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(C)(C)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10) |
| InChIKey | InChI | 1.03 | GOHPTLYPQCTZSE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)(CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(CC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(CC(=O)O)C(=O)O |
