G8I
Summary
| Name: | (2S)-2-hydroxy-3,3-dimethylbutanoic acid |
| Formula: | C6 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 132.158 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-hydroxy-3,3-dimethylbutanoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-3,3-dimethyl-2-oxidanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(O)C(C)(C)C |
| InChI | InChI | 1.06 | InChI=1S/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)/t4-/m1/s1 |
| InChIKey | InChI | 1.06 | FWVNWTNCNWRCOU-SCSAIBSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)[C@H](O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)(C)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)[C@@H](C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(C(=O)O)O |
