2,4,6-Trimethoxyphenylboronic acid

C9H13BO5CAS 135159-25-0212.01 g/mol

Open in Covalent MOL file
BOOOOHHO
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 4 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
135159-25-0
SMILES
B(C1=C(C=C(C=C1OC)OC)OC)(O)O
InChIKey
PKLRXZVPEQJTTJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H13BO5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)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
  • 2,4,6-Trimethoxybenzeneboronic acid

Work with 2,4,6-Trimethoxyphenylboronic 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

(2,6-Dimethyl-4-methoxyphenyl)boronic acid361543-99-962 % similar 2,6-Dimethoxyphenylboronic acid23112-96-161 % similar 2 6-Difluoro-4-methoxyphenylboronic acid406482-20-060 % similar 2,4-Dimethoxybenzeneboronic acid133730-34-458 % similar 3,5-Dimethoxyphenylboronic acid192182-54-057 % similar 2,4,6-Trimethoxyphenol20491-92-354 % similar 2,5-Dimethoxyphenylboronic acid107099-99-053 % similar 2-Chloro-6-methoxyphenylboronic acid385370-80-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,4-Trimethoxybenzeneboronic acid118062-05-8 3,4,5-Trimethoxybenzeneboronic acid182163-96-8

Elsewhere

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