2,3-Dimethoxybenzeneboronic acid

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Product Description

Product2,3-Dimethoxybenzeneboronic acid
CAS40972-86-9
FormulaC8H11BO4

Typical Product Specifications

Molecular FormulaC8H11BO4
Canonicalized Compound1
Compound Complexity153
Hydrogen Bond Acceptor Count4
Hydrogen Bond Donor Count2
Rotatable Bond Count3
Allowed IUPAC Name(2,3-dimethoxyphenyl)boronic acid
CAS-like Style IUPAC Name(2,3-dimethoxyphenyl)boronic acid
Markup IUPAC Name(2,3-dimethoxyphenyl)boronic acid
Preferred IUPAC Name(2,3-dimethoxyphenyl)boronic acid
Traditional IUPAC Name(2,3-dimethoxyphenyl)boronic acid
Standard InChIInChI=1S/C8H11BO4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5,10-11H,1-2H3
Standard InChIKeyVREWSCMOGIXMDQ-UHFFFAOYSA-N
Exact Mass182.0750390
Molecular Weight181.98
Canonical SMILESB(C1=C(C(=CC=C1)OC)OC)(O)O
Isomeric SMILESB(C1=C(C(=CC=C1)OC)OC)(O)O
Polar Surface Area Topological58.9
MonoIsotopic Weight182.0750390
Systematic IUPAC Name(2,3-dimethoxyphenyl)boronic acid
Chemical StructureChemical Structure
ClassSpecialty Materials
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