3-Furanboronic acid

C₄H₅BO₃CAS 55552-70-0111.89 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₅BO₃
Molar mass: 111.89 g/mol
Exact mass: 112.0332 Da
logP: -1.04Crippen estimate
Polar surface area: 53.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation90% of notifiers

Aggregated from 10 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

55552-70-0

SMILES

B(C1=COC=C1)(O)O

InChIKey

CYEFKCRAAGLNHW-UHFFFAOYSA-N

InChI

InChI=1S/C4H5BO3/c6-5(7)4-1-2-8-3-4/h1-3,6-7H

Weigh it out

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

Names and synonyms

1 names

Furan-3-boronic acid

Work with 3-Furanboronic 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

1,4-Benzenediboronic acid4612-26-448 % similar 2-(Furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane248924-59-642 % similar 4,4'-Biphenyldiboronic acid4151-80-842 % similar Phenylboronic acid98-80-642 % similar 1,3-Benzenediboronic acid4612-28-640 % similar Benzofuran-5-boronic acid331834-13-039 % similar Pyridine-4-boronic acid1692-15-538 % similar 4-Hydroxyphenylboronic acid71597-85-838 % similar

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

Same formula

Furan-2-boronic acid13331-23-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook