4-Acetoxybenzeneboronic acid

C₈H₉BO₄CAS 177490-82-3179.97 g/mol

Open in Covalent MOL file

Boronic acid Ester

Properties

Molecular formula: C₈H₉BO₄
Molar mass: 179.97 g/mol
Exact mass: 180.0594 Da
logP: -0.71Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 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

177490-82-3

SMILES

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

InChIKey

VILXJXDXZGKJLU-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4-Acetoxyphenylboronic acid

Work with 4-Acetoxybenzeneboronic 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

Hydroquinone diacetate1205-91-067 % similar 4,4'-Diacetoxybiphenyl32604-29-860 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate480424-70-257 % similar 4-Methylphenyl acetate140-39-656 % similar (4-((tert-Butoxycarbonyl)oxy)phenyl)boronicacid380430-70-655 % similar Phenyl acetate122-79-255 % similar p-Aminophenyl acetate13871-68-655 % similar 4-Fluorophenyl acetate405-51-655 % 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 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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