chempirical

Isopropylboronic acid

C3H9BO2CAS 80041-89-087.91 g/mol

Open in Covalent MOL file
BOHHO
Boronic acid

Properties

Molecular formula
C3H9BO2
Molar mass
87.91 g/mol
Exact mass
88.0696 Da
logP
-0.13Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

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
80041-89-0
SMILES
B(C(C)C)(O)O
InChIKey
QIPHSSYCQCBJAX-UHFFFAOYSA-N
InChI
InChI=1S/C3H9BO2/c1-3(2)4(5)6/h3,5-6H,1-2H3

Weigh it out

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

Work with Isopropylboronic 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

Buntane-2-boronic acid88496-88-238 % similar Cyclopropylboronic acid411235-57-933 % similar Cyclopentylboronic acid63076-51-730 % similar Cyclobutylboronic acid849052-26-230 % similar

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

Same formula

B-Propylboronic acid17745-45-8

Elsewhere

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