4-Methoxy-2-formylphenylboronic acid

C₈H₉BO₄CAS 139962-95-1179.97 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

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

139962-95-1

SMILES

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

InChIKey

ZSSNGMFKYFBOAG-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BO4/c1-13-7-2-3-8(9(11)12)6(4-7)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

2-Formyl-4-methoxybenzeneboronic acid

Work with 4-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-Dimethoxybenzaldehyde93-02-760 % similar 2-Hydroxy-5-methoxybenzaldehyde672-13-959 % similar 2,5-Dimethoxyphenylboronic acid107099-99-058 % similar 2,4-Dimethoxybenzeneboronic acid133730-34-458 % similar 4-Benzyloxy-2-formylphenylboronic acid139962-97-358 % similar (4-Methoxy-2-methylphenyl)boronic acid208399-66-057 % similar 2-Hydroxy-4-methoxybenzaldehyde673-22-357 % similar 2-Fluoro-5-methoxybenzaldehyde105728-90-355 % 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 (2,3-Dihydro-1,4-benzodioxin-6-yl)boronic acid164014-95-3 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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