UPQ
4-(4-methylimidazol-1-yl)benzaldehyde
Created: | 2021-03-04 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 0 |
Bond Count | 25 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | 4-(4-methylimidazol-1-yl)benzaldehyde |
Systematic Name (OpenEye OEToolkits) | 4-(4-methylimidazol-1-yl)benzaldehyde |
Formula | C11 H10 N2 O |
Molecular Weight | 186.21 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Cc1cn(cn1)c2ccc(C=O)cc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cn(cn1)c2ccc(cc2)C=O |
Canonical SMILES | CACTVS | 3.385 | Cc1cn(cn1)c2ccc(C=O)cc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cn(cn1)c2ccc(cc2)C=O |
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 |
Related Resource References
Resource Name | Reference |
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PubChem | 15045260 |