3,4,5-Trimethoxybenzeneboronic acid

C₉H₁₃BO₅CAS 182163-96-8212.01 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

182163-96-8

SMILES

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

InChIKey

RULQUTYJXDLRFL-UHFFFAOYSA-N

InChI

InChI=1S/C9H13BO5/c1-13-7-4-6(10(11)12)5-8(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

3,4,5-Trimethoxyphenylboronic acid

Work with 3,4,5-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

3,4-Dimethoxyphenylboronic acid122775-35-362 % similar 4-Fluoro-3-methoxyphenylboronic acid854778-31-755 % similar B-(4-Chloro-3-methoxyphenyl)boronic acid89694-47-355 % similar 3,4,5-Trimethoxyphenol642-71-754 % similar 3,4,5-Trimethoxytoluene6443-69-250 % similar 3,4,5-Trimethoxybenzyl alcohol3840-31-148 % similar 3,4,5-Trimethoxyaniline24313-88-048 % similar 1-Bromo-3,4,5-trimethoxybenzene2675-79-848 % similar

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

Same formula

2,3,4-Trimethoxybenzeneboronic acid118062-05-8 2,4,6-Trimethoxyphenylboronic acid135159-25-0

Elsewhere

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