chempirical

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

C8H9BO4CAS 164014-95-3179.97 g/mol

Open in Covalent MOL file
BOOHOHO
Boronic acidEther

Properties

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

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

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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

2,3-Dihydrobenzofuran-5-ylboronic acid227305-69-365 % similar 3,4-Dimethoxyphenylboronic acid122775-35-355 % similar 3-Chloro-4-ethoxyphenylboronic acid279261-81-353 % similar B-(3-Ethoxy-4-fluorophenyl)boronic acid900174-65-453 % similar 4-Benzyloxy-3-fluorophenylboronic Acid133057-83-749 % similar 6-Ethoxynaphthalen-2-yl boronic acid352525-98-547 % similar 6-Bromo-1,4-benzodioxane52287-51-147 % similar 1,4-Benzodioxan-6-amine22013-33-845 % 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 4-(Methoxycarbonyl)phenylboronic acid99768-12-4

Elsewhere

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