VOW

(4-ethoxyphenyl)-oxidanyl-oxidanylidene-boron

Created: 2022-09-02
Last modified:  2022-11-02

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count23
Aromatic Bond Count6
2D diagram of VOW

Chemical Component Summary

Name(4-ethoxyphenyl)-oxidanyl-oxidanylidene-boron
Systematic Name (OpenEye OEToolkits)(4-ethoxyphenyl)boronic acid
FormulaC8 H11 B O3
Molecular Weight165.982
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01CCOc1ccc(cc1)B(O)O
SMILESCACTVS3.385CCOc1ccc(cc1)B(O)O
SMILESOpenEye OEToolkits2.0.7B(c1ccc(cc1)OCC)(O)O
Canonical SMILESCACTVS3.385 CCOc1ccc(cc1)B(O)O
Canonical SMILESOpenEye OEToolkits2.0.7 B(c1ccc(cc1)OCC)(O)O
InChIInChI1.06 InChI=1S/C8H11BO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,2H2,1H3
InChIKeyInChI1.06 WRQNDLDUNQMTCL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 2734351
CCDC/CSD PEJZAI, KECJOS, KECJIM
COD 1547648