2,3,4-Trimethoxybenzeneboronic acid

C₉H₁₃BO₅CAS 118062-05-8212.01 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₉H₁₃BO₅
Molar mass: 212.01 g/mol
Exact mass: 212.0856 Da
logP: -0.61Crippen estimate
Polar surface area: 68.2 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 4

Identifiers

CAS number

118062-05-8

SMILES

B(C1=C(C(=C(C=C1)OC)OC)OC)(O)O

InChIKey

LDQLSQRFSNMANA-UHFFFAOYSA-N

InChI

InChI=1S/C9H13BO5/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-5,11-12H,1-3H3

Weigh it out

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

Names and synonyms

1 names

2,3,4-Trimethoxyphenylboronic acid

Work with 2,3,4-Trimethoxybenzeneboronic 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-Methoxyphenylboronic acid5720-06-955 % similar 2,5-Dimethoxyphenylboronic acid107099-99-055 % similar 2-Methoxy-5-methylphenylboronic acid127972-00-353 % similar 5-Fluoro-2-methoxyphenylboronic acid179897-94-051 % similar 5-Bromo-2-methoxyphenylboronic acid89694-45-151 % similar 5-Chloro-2-methoxyphenylboronic acid89694-48-451 % similar 3-Methoxynaphthalene-2-boronic acid104115-76-649 % similar 3,4-Dimethoxyphenylboronic acid122775-35-348 % similar

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

Same formula

2,4,6-Trimethoxyphenylboronic acid135159-25-0 3,4,5-Trimethoxybenzeneboronic acid182163-96-8

Elsewhere

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