1H1
Summary
| Name: | ethyl (3R)-4-cyano-3-hydroxybutanoate |
| Formula: | C7 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 157.167 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl (3R)-4-cyano-3-hydroxybutanoate |
| OpenEye OEToolkits | 1.7.6 | ethyl (3R)-4-cyano-3-oxidanyl-butanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC)CC(O)CC#N |
| InChI | InChI | 1.03 | InChI=1S/C7H11NO3/c1-2-11-7(10)5-6(9)3-4-8/h6,9H,2-3,5H2,1H3/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | LOQFROBMBSKWQY-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCOC(=O)C[C@H](O)CC#N |
| SMILES | CACTVS | 3.370 | CCOC(=O)C[CH](O)CC#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOC(=O)C[C@@H](CC#N)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCOC(=O)CC(CC#N)O |
