ICN
Summary
| Name: | (S)-2-HYDROXY-2,3-DIMETHYLBUTANENITRILE |
| Formula: | C6 H11 N O |
| Formal charge: | 0 |
| Formula weight: | 113.158 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-hydroxy-2,3-dimethylbutanenitrile |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-hydroxy-2,3-dimethyl-butanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#CC(O)(C)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)[C@](C)(O)C#N |
| SMILES | CACTVS | 3.341 | CC(C)[C](C)(O)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)[C@@](C)(C#N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(C)(C#N)O |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO/c1-5(2)6(3,8)4-7/h5,8H,1-3H3/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | QCKRFEBWZBKGTR-ZCFIWIBFSA-N |
