3QD

ethylboronic acid

Created: 2014-10-15
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count12
Chiral Atom Count0
Bond Count11
Aromatic Bond Count0
2D diagram of 3QD

Chemical Component Summary

Nameethylboronic acid
Systematic Name (OpenEye OEToolkits)ethylboronic acid
FormulaC2 H7 B O2
Molecular Weight73.887
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01OB(O)CC
SMILESCACTVS3.385CCB(O)O
SMILESOpenEye OEToolkits1.9.2B(CC)(O)O
Canonical SMILESCACTVS3.385 CCB(O)O
Canonical SMILESOpenEye OEToolkits1.9.2 B(CC)(O)O
InChIInChI1.03 InChI=1S/C2H7BO2/c1-2-3(4)5/h4-5H,2H2,1H3
InChIKeyInChI1.03 PAVZHTXVORCEHP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 521157
ChEMBL CHEMBL3218995