Cyclobutylboronic acid

C4H9BO2CAS 849052-26-299.92 g/mol

Open in Covalent MOL file
BHOOH
Boronic acid

Properties

Molecular formula
C4H9BO2
Molar mass
99.92 g/mol
Exact mass
100.0696 Da
logP
0.01Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
849052-26-2
SMILES
B(C1CCC1)(O)O
InChIKey
MIUALDDWOKMYDA-UHFFFAOYSA-N
InChI
InChI=1S/C4H9BO2/c6-5(7)4-2-1-3-4/h4,6-7H,1-3H2

Weigh it out

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Work with Cyclobutylboronic 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

Cyclopentylboronic acid63076-51-787 % similar B-Cyclohexylboronic acid4441-56-981 % similar Cyclopropylboronic acid411235-57-973 % similar 9-Borabicyclo[3.3.1]nonane dimer21205-91-447 % similar 9-Methoxy-9-borabicyclo(3.3.1)nonane38050-71-435 % similar 9-Borabicyclo[3.3.1]nonane280-64-832 % similar Cyclobutanol2919-23-532 % similar Isopropylboronic acid80041-89-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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