3AQ
Summary
| Name: | (4-hydroxyphenyl)acetonitrile |
| Formula: | C8 H7 N O |
| Formal charge: | 0 |
| Formula weight: | 133.147 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4-hydroxyphenyl)acetonitrile |
| OpenEye OEToolkits | 1.9.2 | 2-(4-hydroxyphenyl)ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CCc1ccc(O)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2 |
| InChIKey | InChI | 1.03 | AYKYOOPFBCOXSL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(CC#N)cc1 |
| SMILES | CACTVS | 3.385 | Oc1ccc(CC#N)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CC#N)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CC#N)O |
