2-(Cyclopentyloxy)acetic Acid - CAS 95832-60-3

Catalog:	BB041853
Product Name:	2-(Cyclopentyloxy)acetic Acid
CAS:	95832-60-3
Synonyms:	2-cyclopentyloxyacetic acid; 2-cyclopentyloxyacetic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	2-cyclopentyloxyacetic acid
Description:	2-(Cyclopentyloxy)acetic Acid (CAS# 95832-60-3) is used for preparation and study of structure-acitivty relationship of dimethyl(alkyloxy)[(methylsulfonyl)phenyl]furanones as COX-2 inhibitors.
Molecular Weight:	144.17
Molecular Formula:	C7H12O3
Canonical SMILES:	C1CCC(C1)OCC(=O)O
InChI:	InChI=1S/C7H12O3/c8-7(9)5-10-6-3-1-2-4-6/h6H,1-5H2,(H,8,9)
InChI Key:	JPUGGGCNNKXYCU-UHFFFAOYSA-N
Boiling Point:	291.52 ℃ at 760 mmHg
Density:	1.131 g/cm³
LogP:	1.03020

Publication Number	Title	Priority Date
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US-2019290647-A1	Alkyl substituted triazole compounds as agonists of the apj receptor	20161116

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.078644241
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	144.078644241
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9