[4-(Propoxycarbonyl)phenyl]boronic acid

C₁₀H₁₃BO₄CAS 91062-38-3208.02 g/mol

Open in Covalent MOL file

Boronic acid Ester

Properties

Molecular formula: C₁₀H₁₃BO₄
Molar mass: 208.02 g/mol
Exact mass: 208.0907 Da
logP: -0.07Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4

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

91062-38-3

SMILES

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

InChIKey

XJEONFAJOXSZDX-UHFFFAOYSA-N

InChI

InChI=1S/C10H13BO4/c1-2-7-15-10(12)8-3-5-9(6-4-8)11(13)14/h3-6,13-14H,2,7H2,1H3

Weigh it out

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

Names and synonyms

1 names

4-Propoxycarbonylphenylboronic acid

Work with [4-(Propoxycarbonyl)phenyl]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

4-(Ethoxycarbonyl)phenylboronic acid4334-88-772 % similar Propylparaben94-13-365 % similar Propyl benzoate2315-68-661 % similar Risocaine94-12-261 % similar 4-(Methoxycarbonyl)phenylboronic acid99768-12-459 % similar (4-Benzyloxycarbonylphenyl)boronic acid184000-11-159 % similar Propylparaben sodium35285-69-956 % similar 4-(tert-Butoxycarbonyl)phenylboronic acid850568-54-655 % similar

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

Same formula

1-(1-Methylethyl) 3-boronobenzoate342002-80-6 1-Propyl 3-boronobenzoate850568-78-4

Elsewhere

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