chempirical

2,4-Dimethoxybenzeneboronic acid

C8H11BO4CAS 133730-34-4181.98 g/mol

Open in Covalent MOL file
BOOHOHO
Boronic acidEther

Properties

Molecular formula
C8H11BO4
Molar mass
181.98 g/mol
Exact mass
182.0750 Da
logP
-0.62Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
133730-34-4
SMILES
B(C1=C(C=C(C=C1)OC)OC)(O)O
InChIKey
SQTUYFKNCCBFRR-UHFFFAOYSA-N
InChI
InChI=1S/C8H11BO4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5,10-11H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2,4-Dimethoxybenzeneboronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Fluoro-5-methoxyphenylboronic acid406482-19-759 % similar 2-Methoxyphenylboronic acid5720-06-958 % similar 3-Methoxynaphthalene-2-boronic acid104115-76-656 % similar 1,2,4-Trimethoxybenzene135-77-355 % similar 2,3,4-Trimethoxybenzeneboronic acid118062-05-855 % similar (4-Methoxyphenyl)boronic acid5720-07-052 % similar 2-Methoxy-5-methylphenylboronic acid127972-00-351 % similar (3-Methoxyphenyl)boronic acid10365-98-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,5-Dimethoxyphenylboronic acid107099-99-0 3,4-Dimethoxyphenylboronic acid122775-35-3

Elsewhere

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