3,4,5-Trimethoxybenzeneboronic acid

C9H13BO5CAS 182163-96-8212.01 g/mol

Open in Covalent MOL file
BOOOHOHO
Boronic acidEther

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 3,5-Dimethyl-4-methoxybenzeneboronic acid301699-39-862 % similar (3,5-Difluoro-4-methoxyphenyl)boronic acid208641-98-960 % similar 3,5-Dimethoxyphenylboronic acid192182-54-057 % similar 3-Fluoro-4-methoxybenzeneboronic acid149507-26-655 % similar 4-Fluoro-3-methoxyphenylboronic acid854778-31-755 % similar (4-Chloro-3-methoxyphenyl)boronic acid89694-47-355 % similar 3,4,5-Trimethoxyphenol642-71-754 % 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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