8A1
Summary
| Name: | (2S)-2,3-dihydroxy-2-methylpropanoic acid |
| Formula: | C4 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 120.104 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2,3-dihydroxy-2-methylpropanoic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-methyl-2,3-bis(oxidanyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C(C)(CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H8O4/c1-4(8,2-5)3(6)7/h5,8H,2H2,1H3,(H,6,7)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | DGADNPLBVRLJGD-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@](O)(CO)C(O)=O |
| SMILES | CACTVS | 3.385 | C[C](O)(CO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@](CO)(C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(CO)(C(=O)O)O |
