UI4
4-pyridin-2-ylphenol
Created: | 2023-02-06 |
Last modified: | 2024-02-21 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 22 |
Chiral Atom Count | 0 |
Bond Count | 23 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 4-pyridin-2-ylphenol |
Systematic Name (OpenEye OEToolkits) | 4-pyridin-2-ylphenol |
Formula | C11 H9 N O |
Molecular Weight | 171.195 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Oc1ccc(cc1)c2ccccn2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)c2ccc(cc2)O |
Canonical SMILES | CACTVS | 3.385 | Oc1ccc(cc1)c2ccccn2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)c2ccc(cc2)O |
InChI | InChI | 1.06 | InChI=1S/C11H9NO/c13-10-6-4-9(5-7-10)11-3-1-2-8-12-11/h1-8,13H |
InChIKey | InChI | 1.06 | VQHMPVXKDCHHSR-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 459499 |