(3-Formyl-4-methoxyphenyl)boronic acid

C₈H₉BO₄CAS 121124-97-8179.97 g/mol

Open in Covalent MOL file

Aldehyde Boronic acid Ether

Properties

Molecular formula: C₈H₉BO₄
Molar mass: 179.97 g/mol
Exact mass: 180.0594 Da
logP: -0.81Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Identifiers

CAS number

121124-97-8

SMILES

B(C1=CC(=C(C=C1)OC)C=O)(O)O

InChIKey

YJQDBKGGRPJSOI-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BO4/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-5,11-12H,1H3

Weigh it out

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

Names and synonyms

1 names

3-Formyl-4-methoxyphenylboronic acid

Work with (3-Formyl-4-methoxyphenyl)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-Dimethoxyphenylboronic acid122775-35-362 % similar 2,5-Dimethoxybenzaldehyde93-02-760 % similar 5-Bromo-2-methoxybenzaldehyde25016-01-757 % similar 5-Fluoro-2-methoxybenzaldehyde19415-51-155 % similar 5-Chloro-2-methoxybenzaldehyde7035-09-855 % similar 2,4,5-Trimethoxybenzaldehyde4460-86-051 % similar 4-Fluoro-3-methoxyphenylboronic acid854778-31-751 % similar B-(4-Chloro-3-methoxyphenyl)boronic acid89694-47-351 % similar

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

Same formula

2-Methoxy-5-formylphenylboronic acid127972-02-5 4-Methoxy-2-formylphenylboronic acid139962-95-1 1-Methyl 2-boronobenzoate374538-03-1 4-(Methoxycarbonyl)phenylboronic acid99768-12-4

Elsewhere

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