2,3,4-Trimethoxybenzeneboronic acid

C9H13BO5CAS 118062-05-8212.01 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 5 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
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

2,3-Dimethoxyphenylboronic acid40972-86-970 % similar 2,3-Difluoro-4-methoxyphenylboronic acid170981-41-658 % similar 2-Methoxyphenylboronic acid5720-06-955 % similar 2,5-Dimethoxyphenylboronic acid107099-99-055 % similar 2,4-Dimethoxybenzeneboronic acid133730-34-455 % similar 2-Methoxy-5-methylphenylboronic acid127972-00-353 % similar 5-Fluoro-2-methoxyphenylboronic acid179897-94-051 % similar (4-Fluoro-2-methoxyphenyl)boronic acid179899-07-151 % 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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