(2,3-Dihydro-1,4-benzodioxin-6-yl)boronic acid

C₈H₉BO₄CAS 164014-95-3179.97 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₈H₉BO₄
Molar mass: 179.97 g/mol
Exact mass: 180.0594 Da
logP: -0.86Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 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

164014-95-3

SMILES

B(C1=CC2=C(C=C1)OCCO2)(O)O

InChIKey

SQDUGGGBJXULJR-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BO4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5,10-11H,3-4H2

Weigh it out

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

Names and synonyms

1 names

1,4-Benzodioxane-6-boronic acid

Work with (2,3-Dihydro-1,4-benzodioxin-6-yl)boronic 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-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid279261-89-185 % similar (2H-1,3-Benzodioxol-5-yl)boronic acid94839-07-378 % similar 2,3-Dihydrobenzofuran-5-ylboronic acid227305-69-365 % similar 3-Fluoro-4-propoxyphenylboronic acid192376-68-458 % similar 4-Ethoxy-3-fluorophenylboronic acid279263-10-457 % similar 3,4-Dimethoxyphenylboronic acid122775-35-355 % similar 3-Chloro-4-ethoxyphenylboronic acid279261-81-353 % similar 3-Ethoxy-4-fluorobenzeneboronic acid900174-65-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(3-Formyl-4-methoxyphenyl)boronic acid121124-97-8 2-Methoxy-5-formylphenylboronic acid127972-02-5 4-Methoxy-2-formylphenylboronic acid139962-95-1 4-Acetoxybenzeneboronic acid177490-82-3 1-Methyl 2-boronobenzoate374538-03-1 5-Methoxy-2-formylphenylboronic acid40138-18-9 4-Methoxycarbonylphenylboronic acid99768-12-4 3-(Methoxycarbonyl)benzeneboronic acid99769-19-4

Elsewhere

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