(2H-1,3-Benzodioxol-5-yl)boronic acid

C₇H₇BO₄CAS 94839-07-3165.94 g/mol

Open in Covalent MOL file

Acetal Boronic acid Ether

Properties

Molecular formula: C₇H₇BO₄
Molar mass: 165.94 g/mol
Exact mass: 166.0437 Da
logP: -0.90Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

94839-07-3

SMILES

B(C1=CC2=C(C=C1)OCO2)(O)O

InChIKey

CMHPUBKZZPSUIQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3,9-10H,4H2

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Names and synonyms

1 names

3,4-Methylenedioxyphenylboronic acid

Work with (2H-1,3-Benzodioxol-5-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-Dihydro-1,4-benzodioxin-6-yl)boronic acid164014-95-378 % similar 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid279261-89-172 % similar 3,4-Dimethoxyphenylboronic acid122775-35-355 % similar 2,3-Dihydrobenzofuran-5-ylboronic acid227305-69-355 % similar 4-Ethoxy-3-fluorophenylboronic acid279263-10-453 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,3-benzodioxole94838-82-151 % similar 3-Fluoro-4-propoxyphenylboronic acid192376-68-450 % similar Sesamol533-31-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Carboxyphenylboronic acid14047-29-1 2-Carboxyphenylboronic acid149105-19-1 3-Carboxyphenylboronic acid25487-66-5

Elsewhere

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