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Structure

2,6-Dimethoxypyridine-3-boronic acid

CAS
221006-70-8
Catalog Number
ACM221006708
Category
Boronic Acids
Molecular Weight
182.97g/mol
Molecular Formula
C7H10BNO4

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Specification

Synonyms
2,6-DIMETHOXY-3-PYRIDYL BORONIC ACID;2,6-DIMETHOXY-3-PYRIDINEBORONIC ACID;2,6-DIMETHOXYPYRIDINE-3-BORONIC ACID;(2,6-DIMETHOXYPYRIDIN-3-YL)BORONIC ACID;2,6-DIMETHOXYL-5-PYRIDINEBORONIC ACID;2,6-DIMETHOXYPYRIDINE-5-BORONIC ACID;2,6-Dimethoxypyridine-3-Boron
IUPAC Name
(2,6-dimethoxypyridin-3-yl)boronic acid
Canonical SMILES
B(C1=C(N=C(C=C1)OC)OC)(O)O
InChI
InChI=1S/C7H10BNO4/c1-12-6-4-3-5(8(10)11)7(9-6)13-2/h3-4,10-11H,1-2H3
InChI Key
ADGHSWFUZUADDH-UHFFFAOYSA-N
Complexity
157
Covalently-Bonded Unit Count
1
Exact Mass
183.070288g/mol
Formal Charge
0
H-Bond Acceptor
5
H-Bond Donor
2
Heavy Atom Count
13
Monoisotopic Mass
183.070288g/mol
Rotatable Bond Count
3
What is the molecular formula of 2,6-Dimethoxypyridine-3-boronic acid?

The molecular formula is C7H10BNO4.

What is the molecular weight of 2,6-Dimethoxypyridine-3-boronic acid?

The molecular weight is 182.97 g/mol.

What is the IUPAC name of 2,6-Dimethoxypyridine-3-boronic acid?

The IUPAC name is (2,6-dimethoxypyridin-3-yl)boronic acid.

What is the InChI of 2,6-Dimethoxypyridine-3-boronic acid?

The InChI is InChI=1S/C7H10BNO4/c1-12-6-4-3-5(8(10)11)7(9-6)13-2/h3-4,10-11H,1-2H3.

What is the InChIKey of 2,6-Dimethoxypyridine-3-boronic acid?

The InChIKey is ADGHSWFUZUADDH-UHFFFAOYSA-N.

What is the canonical SMILES of 2,6-Dimethoxypyridine-3-boronic acid?

The canonical SMILES is B(C1=C(N=C(C=C1)OC)OC)(O)O.

What is the CAS number of 2,6-Dimethoxypyridine-3-boronic acid?

The CAS number is 221006-70-8.

What is the European Community (EC) number of 2,6-Dimethoxypyridine-3-boronic acid?

The European Community (EC) number is 623-227-2.

What is the DSSTox Substance ID of 2,6-Dimethoxypyridine-3-boronic acid?

The DSSTox Substance ID is DTXSID30376381.

Is 2,6-Dimethoxypyridine-3-boronic acid a canonicalized compound?

Yes, 2,6-Dimethoxypyridine-3-boronic acid is canonicalized.

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