WXU
Summary
| Name: | 3-hydroxy-3-methyl-2-oxobutanoic acid |
| Formula: | C5 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 132.115 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-hydroxy-3-methyl-2-oxobutanoic acid |
| OpenEye OEToolkits | 2.0.7 | 3-methyl-3-oxidanyl-2-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(=O)C(C)(C)O |
| InChI | InChI | 1.06 | InChI=1S/C5H8O4/c1-5(2,9)3(6)4(7)8/h9H,1-2H3,(H,7,8) |
| InChIKey | InChI | 1.06 | DNOPJXBPONYBLB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)C(=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)(O)C(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)C(=O)O)O |
