JMD
Summary
| Name: | 4-(2-hydroxyethyl)benzonitrile |
| Formula: | C9 H9 N O |
| Formal charge: | 0 |
| Formula weight: | 147.174 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(2-hydroxyethyl)benzonitrile |
| OpenEye OEToolkits | 2.0.6 | 4-(2-hydroxyethyl)benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c1ccc(CCO)cc1)#N |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,11H,5-6H2 |
| InChIKey | InChI | 1.03 | RBSJBNYPTGMZIH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCc1ccc(cc1)C#N |
| SMILES | CACTVS | 3.385 | OCCc1ccc(cc1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CCO)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CCO)C#N |
