MXN
Summary
| Name: | (2R)-hydroxy(phenyl)ethanenitrile |
| Synonyms: | (R)-mandelonitrile |
| Formula: | C8 H7 N O |
| Formal charge: | 0 |
| Formula weight: | 133.147 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-hydroxy(phenyl)ethanenitrile |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-hydroxy-2-phenyl-ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#CC(O)c1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H](C#N)c1ccccc1 |
| SMILES | CACTVS | 3.341 | O[CH](C#N)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)[C@H](C#N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(C#N)O |
| InChI | InChI | 1.03 | InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | NNICRUQPODTGRU-QMMMGPOBSA-N |
