HUI
Summary
| Name: | (2S)-2-methyl-3-oxidanyl-propanoic acid |
| Synonyms: | (S)-3-hydroxyisobutyric acid |
| Formula: | C4 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 104.105 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-methyl-3-oxidanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | DBXBTMSZEOQQDU-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CO)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](CO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](CO)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(CO)C(=O)O |
