2-Furanboronic acid

CAT: 1489-F7600-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:1489-F7600-01Size:1 g

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CAS Number

13331-23-2

Chemical Information

Furan-2-boronic acid

CAS Number	13331-23-2
PubChem CID	2734357
IUPAC Name	furan-2-ylboronic acid
Molecular Formula	C4H5BO3
Molecular Weight	111.89
Topological Polar Surface Area	53.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	75

SMILES

B(C1=CC=CO1)(O)O

InChI

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

InChIKey

PZJSZBJLOWMDRG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13331-23-2

CID: 2734357

Formula: C4H5BO3

MW: 111.89

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	111.89
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	112.0331742
Monoisotopic Mass	112.0331742
Topological Polar Surface Area	53.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	75.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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