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2,4-Dimethoxyphenylboronic acid

CAT: 0013-GTR19245654-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19245654-01Size:50 g
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Description
2,4-Dimethoxyphenylboronic acid is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
133730-34-4
Smiles
COC1=CC=C (B (O) O) C (OC) =C1
Molecular Formula
C8H11BO4
Molecular Weight
181.982
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,4-Dimethoxybenzeneboronic acid
CAS Number133730-34-4
PubChem CID2734341
IUPAC Name(2,4-dimethoxyphenyl)boronic acid
Molecular FormulaC8H11BO4
Molecular Weight181.98
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity153
SMILES
B(C1=C(C=C(C=C1)OC)OC)(O)O
InChI
InChI=1S/C8H11BO4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5,10-11H,1-2H3
InChIKey
SQTUYFKNCCBFRR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dimethoxybenzeneboronic acid
CAS: 133730-34-4
CID: 2734341
Formula: C8H11BO4
MW: 181.98
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.98
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass182.0750390
Monoisotopic Mass182.0750390
Topological Polar Surface Area58.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity153
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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