3QD
ethylboronic acid
Created: | 2014-10-15 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 12 |
Chiral Atom Count | 0 |
Bond Count | 11 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | ethylboronic acid |
Systematic Name (OpenEye OEToolkits) | ethylboronic acid |
Formula | C2 H7 B O2 |
Molecular Weight | 73.887 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OB(O)CC |
SMILES | CACTVS | 3.385 | CCB(O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | B(CC)(O)O |
Canonical SMILES | CACTVS | 3.385 | CCB(O)O |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | B(CC)(O)O |
InChI | InChI | 1.03 | InChI=1S/C2H7BO2/c1-2-3(4)5/h4-5H,2H2,1H3 |
InChIKey | InChI | 1.03 | PAVZHTXVORCEHP-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 521157 |
ChEMBL | CHEMBL3218995 |