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(4-ethoxyphenyl)-oxidanyl-oxidanylidene-boron
Created: | 2022-09-02 |
Last modified: | 2022-11-02 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 0 |
Bond Count | 23 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | (4-ethoxyphenyl)-oxidanyl-oxidanylidene-boron |
Systematic Name (OpenEye OEToolkits) | (4-ethoxyphenyl)boronic acid |
Formula | C8 H11 B O3 |
Molecular Weight | 165.982 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCOc1ccc(cc1)B(O)O |
SMILES | CACTVS | 3.385 | CCOc1ccc(cc1)B(O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | B(c1ccc(cc1)OCC)(O)O |
Canonical SMILES | CACTVS | 3.385 | CCOc1ccc(cc1)B(O)O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | B(c1ccc(cc1)OCC)(O)O |
InChI | InChI | 1.06 | InChI=1S/C8H11BO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,2H2,1H3 |
InChIKey | InChI | 1.06 | WRQNDLDUNQMTCL-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 2734351 |
CCDC/CSD | PEJZAI, KECJOS, KECJIM |
COD | 1547648 |