5-Methoxy-2-formylphenylboronic acid

C₈H₉BO₄CAS 40138-18-9179.97 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

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

40138-18-9

SMILES

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

InChIKey

YISYHZMNRATPRA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 5-Methoxy-2-formylphenylboronic 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

2,5-Dimethoxyphenylboronic acid107099-99-063 % similar 2-Hydroxy-4-methoxybenzaldehyde673-22-361 % similar 2-Hydroxy-5-methoxybenzaldehyde672-13-959 % similar 2,4-Dimethoxybenzaldehyde613-45-658 % similar 4-Methoxy-2-methylbenzaldehyde52289-54-057 % similar 2,5-Dimethoxybenzaldehyde93-02-756 % similar 2-Fluoro-4-methoxybenzaldehyde331-64-655 % similar 2-Fluoro-5-methoxyphenylboronic acid406482-19-755 % 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 (2,3-Dihydro-1,4-benzodioxin-6-yl)boronic acid164014-95-3 4-Acetoxybenzeneboronic acid177490-82-3 1-Methyl 2-boronobenzoate374538-03-1 4-(Methoxycarbonyl)phenylboronic acid99768-12-4

Elsewhere

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