5-Methyl-2-furanboronic Acid

C₅H₇BO₃CAS 62306-79-0125.92 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₇BO₃
Molar mass: 125.92 g/mol
Exact mass: 126.0488 Da
logP: -0.73Crippen 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 irritation66.7% of notifiers

Aggregated from 3 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

62306-79-0

SMILES

B(C1=CC=C(O1)C)(O)O

InChIKey

LMJIDBVSSSPRII-UHFFFAOYSA-N

InChI

InChI=1S/C5H7BO3/c1-4-2-3-5(9-4)6(7)8/h2-3,7-8H,1H3

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Names and synonyms

1 names

5-Methylfuran-2-boronic acid

Work with 5-Methyl-2-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

2,5-Dimethylfuran625-86-550 % similar 4,4,5,5-Tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane338998-93-947 % similar 2-Formylfuran-5-boronic acid27329-70-045 % similar 5-Methyl-2-furanmethanol3857-25-840 % similar Furan-2-boronic acid13331-23-238 % similar 2-Methyl-5-(methylthio)furan13678-59-637 % similar 5-Methylfuran-2-carbonyl chloride14003-11-336 % similar 5-Methyl-2-furoic acid1917-15-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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