4-(1-Hydroxycyclopropyl)phenylboronic Acid - CAS 956006-93-2

Catalog:	BB041773
Product Name:	4-(1-Hydroxycyclopropyl)phenylboronic Acid
CAS:	956006-93-2
Synonyms:	[4-(1-hydroxycyclopropyl)phenyl]boronic acid; [4-(1-hydroxycyclopropyl)phenyl]boronic acid

Technical Data

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Computed Properties

IUPAC Name:	[4-(1-hydroxycyclopropyl)phenyl]boronic acid
Description:	(4-(1-Hydroxycyclopropyl)phenyl)boronic Acid acts as a useful reagent in the preparation of glucopyranosyl-substituted benzonitriles used as therapeutic agents in the treatment of metabolic disorders.
Molecular Weight:	177.99
Molecular Formula:	C9H11O3B
Canonical SMILES:	B(C1=CC=C(C=C1)C2(CC2)O)(O)O
InChI:	InChI=1S/C9H11BO3/c11-9(5-6-9)7-1-3-8(4-2-7)10(12)13/h1-4,11-13H,5-6H2
InChI Key:	BTPVGADBNJZEHG-UHFFFAOYSA-N
LogP:	-0.65220

Publication Number	Title	Priority Date
AU-2007247218-A1	Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture	20060503
AU-2007247218-B2	Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture	20060503
BR-PI0711121-B1	Glucopyranosyl substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, and their use	20060503
CA-2645638-A1	Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture	20060503
CN-101437807-A	Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture	20060503

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Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.0801244
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	178.0801244
Rotatable Bond Count:	2
Topological Polar Surface Area:	60.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0