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1-(1,3-Benzodioxol-5-yl)cyclopentanecarboxylic Acid

1-(1,3-Benzodioxol-5-yl)cyclopentanecarboxylic Acid - CAS 945244-30-4

Catalog:	BB041406
Product Name:	1-(1,3-Benzodioxol-5-yl)cyclopentanecarboxylic Acid
CAS:	945244-30-4
Synonyms:	1-(1,3-benzodioxol-5-yl)-1-cyclopentanecarboxylic acid; 1-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxylic acid
Description:	1-(1,3-Benzodioxol-5-yl)cyclopentanecarboxylic Acid (CAS# 945244-30-4 ) is a useful research chemical.
Molecular Weight:	234.25
Molecular Formula:	C13H14O4
Canonical SMILES:	C1CCC(C1)(C2=CC3=C(C=C2)OCO3)C(=O)O
InChI:	InChI=1S/C13H14O4/c14-12(15)13(5-1-2-6-13)9-3-4-10-11(7-9)17-8-16-10/h3-4,7H,1-2,5-6,8H2,(H,14,15)
InChI Key:	JBUHPCVBAHVTCW-UHFFFAOYSA-N
LogP:	2.31170

Publication Number	Title	Priority Date
US-2011098311-A1	Compositions for treatment of cystic fibrosis and other chronic diseases	20091022
US-2014121208-A1	Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases	20091022
US-2014329814-A2	Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases	20091022
US-2015150879-A2	Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases	20091022
US-2015231142-A1	Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases	20091022

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Complexity:	309
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.08920892
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	234.08920892
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6