chempirical

2,3-Dimethoxyphenylboronic acid

C8H11BO4CAS 40972-86-9181.98 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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
40972-86-9
SMILES
B(C1=C(C(=CC=C1)OC)OC)(O)O
InChIKey
VREWSCMOGIXMDQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H11BO4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5,10-11H,1-2H3

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Names and synonyms

1 names
  • 2,3-Dimethoxybenzeneboronic acid

Work with 2,3-Dimethoxyphenylboronic 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

2,3,4-Trimethoxybenzeneboronic acid118062-05-870 % similar 2-Methoxyphenylboronic acid5720-06-969 % similar 2-Fluoro-3-methoxyphenylboronic acid352303-67-464 % similar 1,2,3-Trimethoxybenzene634-36-659 % similar 2,3-Dimethoxyphenol5150-42-553 % similar 3-Methoxynaphthalene-2-boronic acid104115-76-651 % similar 2-Chloro-6-methoxyphenylboronic acid385370-80-951 % similar 2,3-Dimethoxytoluene4463-33-650 % 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 2,4-Dimethoxybenzeneboronic acid133730-34-4 3,5-Dimethoxyphenylboronic acid192182-54-0 2,6-Dimethoxyphenylboronic acid23112-96-1 3-(Hydroxymethyl)-4-methoxyphenylboronic Acid908142-03-0

Elsewhere

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