3-Formylfuran-2-boronic acid

C₅H₅BO₄CAS 27339-38-4139.90 g/mol

Open in Covalent MOL file

Aldehyde Boronic 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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

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

27339-38-4

SMILES

B(C1=C(C=CO1)C=O)(O)O

InChIKey

JUZCSXHYOWVCHI-UHFFFAOYSA-N

InChI

InChI=1S/C5H5BO4/c7-3-4-1-2-10-5(4)6(8)9/h1-3,8-9H

Weigh it out

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

Work with 3-Formylfuran-2-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

2-Formylphenylboronic acid40138-16-747 % similar 3-Formyl-2-thiopheneboronic acid17303-83-243 % similar (4-Formyl-1-naphthalene)boronic acid332398-52-441 % similar (3-Formyl-4-methoxyphenyl)boronic acid121124-97-840 % similar 3-Fluoro-4-formylphenylboronic acid248270-25-939 % similar 4-Fluoro-3-formylphenylboronic acid374538-01-939 % similar 4-Fluoro-2-formylphenylboronic Acid (contains varying amounts of Anhydride)825644-26-639 % similar B-(2-Fluoro-3-formylphenyl)boronic acid849061-98-939 % similar

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

Same formula

2-Formylfuran-5-boronic acid27329-70-0 B-(5-Formyl-3-furanyl)boronic acid62306-80-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook