chempirical

B-(5-Formyl-3-furanyl)boronic acid

C5H5BO4CAS 62306-80-3139.90 g/mol

Open in Covalent MOL file
OBOHHOO
AldehydeBoronic acid

Properties

Molecular formula
C5H5BO4
Molar mass
139.90 g/mol
Exact mass
140.0281 Da
logP
-1.23Crippen estimate
Polar surface area
70.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
62306-80-3
SMILES
O=Cc1cc(B(O)O)co1
InChIKey
RIBSTTPRQPAXRS-UHFFFAOYSA-N
InChI
InChI=1S/C5H5BO4/c7-2-5-1-4(3-10-5)6(8)9/h1-3,8-9H

Weigh it out

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

Names and synonyms

5 names
  • Boronic acid, B-(5-formyl-3-furanyl)-
  • Boronic acid, (5-formyl-3-furanyl)-
  • 5-Formyl-3-furanboronic acid
  • 2-Formyl-4-furanboronic acid
  • (5-Formylfuran-3-yl)boronic acid

Work with B-(5-Formyl-3-furanyl)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-Formylphenylboronic acid87199-17-544 % similar 3-Formylphenylboronic acid87199-16-443 % similar (3-Formyl-4-methoxyphenyl)boronic acid121124-97-837 % similar 2,5-Furandicarboxaldehyde823-82-533 % similar B-(2-Fluoro-4-formylphenyl)boronic acid871126-22-633 % similar B-(4-Chloro-2-formylphenyl)boronic acid913835-76-433 % similar 5-Formyl-2-thiopheneboronic acid4347-33-532 % similar 3-Formyl-2-thiopheneboronic acid17303-83-232 % similar

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

Elsewhere

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