X2X
Summary
| Name: | (2S)-2-hydroxy-2-methyl-3-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 | (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-methyl-2-oxidanyl-3-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(O)(C(=O)C)C |
| InChI | InChI | 1.03 | InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | NMDWGEGFJUBKLB-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)[C@](C)(O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)[C](C)(O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)[C@@](C)(C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)C(C)(C(=O)O)O |
