UPQ
Summary
| Name: | 4-(4-methylimidazol-1-yl)benzaldehyde |
| Formula: | C11 H10 N2 O |
| Formal charge: | 0 |
| Formula weight: | 186.21 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(4-methylimidazol-1-yl)benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H10N2O/c1-9-6-13(8-12-9)11-4-2-10(7-14)3-5-11/h2-8H,1H3 |
| InChIKey | InChI | 1.03 | PVVBFOHONHPONZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cn(cn1)c2ccc(C=O)cc2 |
| SMILES | CACTVS | 3.385 | Cc1cn(cn1)c2ccc(C=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cn(cn1)c2ccc(cc2)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cn(cn1)c2ccc(cc2)C=O |
