(3-(methoxycarbonyl)furan-2-yl)boronic acid - CAS 868286-61-7

Catalog:	BB038075
Product Name:	(3-(methoxycarbonyl)furan-2-yl)boronic acid
CAS:	868286-61-7
Synonyms:	(3-methoxycarbonyl-2-furanyl)boronic acid; (3-methoxycarbonylfuran-2-yl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(3-methoxycarbonylfuran-2-yl)boronic acid
Description:	(3-(methoxycarbonyl)furan-2-yl)boronic acid (CAS# 868286-61-7) is a useful research chemical.
Molecular Weight:	169.927
Molecular Formula:	C6H7BO5
Canonical SMILES:	B(C1=C(C=CO1)C(=O)OC)(O)O
InChI:	InChI=1S/C6H7BO5/c1-11-6(8)4-2-3-12-5(4)7(9)10/h2-3,9-10H,1H3
InChI Key:	HJVVEQXVFDXEDT-UHFFFAOYSA-N
LogP:	-1.25400

Publication Number	Title	Priority Date
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
AU-2005236020-A1	1,3,5-substituted phenyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease	20040420
EP-1740559-A1	1,3,5-substituted phenyl derivative compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease	20040420
EP-1740559-B1	1,3,5-substituted phenyl derivative compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease	20040420

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Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.0386535
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	170.0386535
Rotatable Bond Count:	3
Topological Polar Surface Area:	79.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0