CAS 940-31-8 | 2-Phenoxypropanoic acid | CAS Number 940-31-8

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940-31-8 | 2-Phenoxypropanoic acid

CAS No: 940-31-8 Catalog No: AG003HUN MDL No:MFCD00002643

Product Description

Catalog Number:

AG003HUN

Chemical Name:

2-Phenoxypropanoic acid

CAS Number:

940-31-8

Molecular Formula:

C9H10O3

Molecular Weight:

166.1739

MDL Number:

MFCD00002643

IUPAC Name:

2-phenoxypropanoic acid

InChI:

InChI=1S/C9H10O3/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)

InChI Key:

SXERGJJQSKIUIC-UHFFFAOYSA-N

SMILES:

CC(C(=O)O)Oc1ccccc1

EC Number:

213-370-5

Properties

Complexity:

150

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

166.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

166.176g/mol

Monoisotopic Mass:

166.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Enantioselective enzymatic hydrolysis of racemic drugs by encapsulation in sol-gel magnetic sporopollenin.	Bioprocess and biosystems engineering 20120501
Poly[(μ(2)-4,4'-bipyridine-κN:N')bis-(μ(2)-2-phen-oxy-propionato-κO:O')cobalt(II)].	Acta crystallographica. Section E, Structure reports online 20111101
Tetra-kis(μ(2)-2-phen-oxy-propionato)-κO,O':O';κO:O,O';κO:O'-bis-[(1,10-phenanthroline-κN,N')(2-phen-oxy-propionato-κO,O')lanthanum(III)].	Acta crystallographica. Section E, Structure reports online 20111001
Bis(μ(2)-2-phen-oxy-propionato-κO:O')bis-[(1,10-phenanthroline-κN,N')bis-(2-phen-oxy-propionato-κO,O')ytterbium(III)].	Acta crystallographica. Section E, Structure reports online 20111001
Tetra-kis(μ-2-phen-oxy-propionato)-κO,O':O';κO:O,O';κO:O'-bis-[(1,10-phenanthroline-κN,N')(2-phen-oxy-propionato-κO,O')holmium(III)].	Acta crystallographica. Section E, Structure reports online 20111001
Tetra-kis(μ(2)-2-phen-oxy-propionato)-κO,O':O';κO:O,O';κO:O'-bis-[(1,10-phenanthroline-κN,N')(2-phen-oxy-propionato-κO,O')cerium(III)].	Acta crystallographica. Section E, Structure reports online 20111001
Tetra-kis(μ(2)-2-phen-oxy-propionato)-κO,O':O';κO:O,O';κO:O'-bis-[(1,10-phenanthroline-κN,N')(2-phen-oxy-propionato-κO,O')gadolinium(III)].	Acta crystallographica. Section E, Structure reports online 20111001
Tetra-kis(μ-2-phen-oxy-propionato)-κO,O':O';κO:O,O';κO:O'-bis-[(1,10-phenanthroline-κN,N')(2-phen-oxy-propionato-κO,O')terbium(III)].	Acta crystallographica. Section E, Structure reports online 20110901
Tetra-kis(μ-2-phen-oxy-propionato)-κO,O':O';κO:O,O',κO:O'-bis-[(1,10-phenanthroline-κN,N')(2-phen-oxy-propionato-κO,O')dysprosium(III)].	Acta crystallographica. Section E, Structure reports online 20110901
Tetra-kis(μ-2-phen-oxy-propionato)-κO,O':O';κO:O,O',κO:O'-bis-[(1,10-phenanthroline-κN,N')(2-phen-oxy-propionato-κO,O')praseodymium(III)].	Acta crystallographica. Section E, Structure reports online 20110901
Bis(μ-2-phen-oxy-propionato-κO:O')bis-[(1,10-phenanthroline-κN,N')bis-(2-phen-oxy-propionato-κO,O')samarium(III)].	Acta crystallographica. Section E, Structure reports online 20110901
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
CYP2C8- and CYP3A-mediated C-demethylation of (3-{[(4-tert-butylbenzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid (CP-533,536), an EP2 receptor-selective prostaglandin E2 agonist: characterization of metabolites by high-resolution liquid chromatography-tandem mass spectrometry and liquid chromatography/mass spectrometry-nuclear magnetic resonance.	Drug metabolism and disposition: the biological fate of chemicals 20081001
A rapid and easy multiresidue method for the determination of pesticide residues in vegetables, fruits, and cereals using liquid Chromatography/tandem mass spectrometry.	Journal of AOAC International 20080101
Chlorination of 2-phenoxypropanoic acid with NCP in aqueous acetic acid: using a novel ortho-para relationship and the para/meta ratio of substituent effects for mechanism elucidation.	The Journal of organic chemistry 20070706
Enantioseparation of 2-aryloxypropionic acids on chiral porous monolithic columns by capillary electrochromatography. Evaluation of column performance and enantioselectivity.	Journal of chromatography. A 20060707
Solubilization of two structurally related anticancer drugs: XK-469 and PPA.	Journal of pharmaceutical sciences 20060101
Metabolism, excretion, and pharmacokinetics of (3-{[4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid, an EP2 receptor-selective prostaglandin E2 agonist, in male and female Sprague-Dawley rats.	Drug metabolism and disposition: the biological fate of chemicals 20050801
In vitro reactivity of carboxylic acid-CoA thioesters with glutathione.	Chemical research in toxicology 20040101
Theoretical studies on the gas-phase pyrolysis of 2-phenoxycarboxylic acids: an ONIOM approach.	Journal of computational chemistry 20030601
Hydrogen bonding in enantiomeric versus racemic mono-carboxylic acids; a case study of 2-phenoxypropionic acid.	Acta crystallographica. Section B, Structural science 20030201
Origin of enantiomeric selectivity in the aryloxyphenoxypropionic acid class of herbicidal acetyl coenzyme A carboxylase (ACCase) inhibitors.	Journal of agricultural and food chemistry 20020731
Microbial deracemization of alpha-substituted carboxylic acids.	Organic letters 20020207
Enantiomeric separation of chiral phenoxy acid herbicides by electrokinetic chromatography. Application to the determination of analyte-selector apparent binding constants for enantiomers.	Electrophoresis 20010901
Solvent-free optical resolution of N-methylamphetamine by distillation after partial diastereoisomeric salt formation.	Chirality 20010801