chempirical

Cyclopropylboronic acid

C3H7BO2CAS 411235-57-985.90 g/mol

Open in Covalent MOL file
HOBHO
Boronic acid

Properties

Molecular formula
C3H7BO2
Molar mass
85.90 g/mol
Exact mass
86.0539 Da
logP
-0.38Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
411235-57-9
SMILES
OB(O)C1CC1
InChIKey
WLVKDFJTYKELLQ-UHFFFAOYSA-N
InChI
InChI=1S/C3H7BO2/c5-4(6)3-1-2-3/h3,5-6H,1-2H2

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

Names and synonyms

4 names
  • Boronic acid, B-cyclopropyl-
  • Boronic acid, cyclopropyl-
  • B-Cyclopropylboronic acid
  • Cyclopropaneboronic acid

Work with Cyclopropylboronic 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

B-Cyclohexylboronic acid4441-56-969 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook