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940-31-8,MFCD00002643
Catalog No.:AA003HRV
940-31-8 | 2-Phenoxypropionic acid
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Technical Information
Catalog Number:
AA003HRV
Chemical Name:
2-Phenoxypropionic 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
Computed Properties
 
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
2-phenoxypropanoic acid 
2-Phenoxypropionic acid 
dl-2-Phenoxypropionic acid 
(2RS)-2-phenoxypropionic acid 
NSC 1866 
EINECS 213-370-5 
Acide phenoxy-2-propionique [French] 
NSC 404102 
(S)-2-phenoxypropanoic acid 
.alpha.-Phenoxypropionic acid 
AI3-17384 
.alpha.-Methylphenoxyacetic acid 
2-Phenoxypropanoic acid 
SXERGJJQSKIUIC-UHFFFAOYSA-N 
MFCD00002643 
Propanoic acid, phenoxy- 
akos bbb/241 
2-Phenoxypropionicacid 
2-phenoxy-propanoicaci 
2-phenoxy-propionicaci 
2-phenoxy propionic acid 
2-phenoxy-propionic acid 
alpha-Phenoxypropinic acid 
940-31-8 
ACMC-1BT8W 
ChemDiv3_001384 
2-Phenoxypropanoic acid # 
AC1Q2C1W 
SCHEMBL43054 
AC1L227C 
ARONIS008241 
CTK1C4976 
NSC1866 
2-Phenoxypropionic acid, >=98% 
alpha-Methylphenoxyacetic acid 
HMS1476O20 
ALBB-000255 
KS-000014KJ 
NSC-1866 
PHD-0-01 
Propionic acid, 2-phenoxy- (VAN) 
ANW-40154 
AR3815 
BBL002385 
HTS000651 
Propanoic acid, 2-phenoxy- 
NSC404102 
SBB079963 
SP4217 
STK397471 
AKOS000103747 
AKOS016050270 
BS-3903 
CS-W021018 
MCULE-3922404950 
NSC-404102 
alpha-Phenoxypropionic acid 
IDI1_020350 
KS-0000404L 
NCGC00180553-01 
38669-41-9 
AN-48111 
AN-48665 
AB1002176 
LS-124827 
Propanoic acid, 2-phenoxy-, (.+/-.)- 
Propionic acid, 2-phenoxy- (VAN) (8CI) 
phenoxypropionic acid 
TR-029392 
EU-0070543 
FT-0613297 
P0318 
ST45044988 
W-6175 
83570-EP2305655A2 
AN-651/40401218 
SR-01000423857 
SR-01000423857-1 
Acide phenoxy-2-propionique 
W-100218 
BRD-A44629442-001-01-5 
I14-20028 
F0722-6589 
(R)-2-Phenoxypropanoic acid 
(2R)-2-phenoxypropanoic acid 
C9H10O3 
CID13658 
C9-H10-O3 
1129-46-0 
PROPIONIC ACID, 2-PHENOXY- 
1912-23-8 
1912-21-6 
Literature

Title: Enantioselective enzymatic hydrolysis of racemic drugs by encapsulation in sol-gel magnetic sporopollenin.

Journal: Bioprocess and biosystems engineering 20120501

Title: Poly[(μ(2)-4,4'-bipyridine-κN:N')bis-(μ(2)-2-phen-oxy-propionato-κO:O')cobalt(II)].

Journal: Acta crystallographica. Section E, Structure reports online 20111101

Title: 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)].

Journal: Acta crystallographica. Section E, Structure reports online 20111001

Title: Bis(μ(2)-2-phen-oxy-propionato-κO:O')bis-[(1,10-phenanthroline-κN,N')bis-(2-phen-oxy-propionato-κO,O')ytterbium(III)].

Journal: Acta crystallographica. Section E, Structure reports online 20111001

Title: 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)].

Journal: Acta crystallographica. Section E, Structure reports online 20111001

Title: 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)].

Journal: Acta crystallographica. Section E, Structure reports online 20111001

Title: 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)].

Journal: Acta crystallographica. Section E, Structure reports online 20111001

Title: 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)].

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: 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)].

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: 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)].

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: Bis(μ-2-phen-oxy-propionato-κO:O')bis-[(1,10-phenanthroline-κN,N')bis-(2-phen-oxy-propionato-κO,O')samarium(III)].

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: 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.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20081001

Title: A rapid and easy multiresidue method for the determination of pesticide residues in vegetables, fruits, and cereals using liquid Chromatography/tandem mass spectrometry.

Journal: Journal of AOAC International 20080101

Title: 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.

Journal: The Journal of organic chemistry 20070706

Title: Enantioseparation of 2-aryloxypropionic acids on chiral porous monolithic columns by capillary electrochromatography. Evaluation of column performance and enantioselectivity.

Journal: Journal of chromatography. A 20060707

Title: Solubilization of two structurally related anticancer drugs: XK-469 and PPA.

Journal: Journal of pharmaceutical sciences 20060101

Title: 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.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20050801

Title: In vitro reactivity of carboxylic acid-CoA thioesters with glutathione.

Journal: Chemical research in toxicology 20040101

Title: Theoretical studies on the gas-phase pyrolysis of 2-phenoxycarboxylic acids: an ONIOM approach.

Journal: Journal of computational chemistry 20030601

Title: Hydrogen bonding in enantiomeric versus racemic mono-carboxylic acids; a case study of 2-phenoxypropionic acid.

Journal: Acta crystallographica. Section B, Structural science 20030201

Title: Origin of enantiomeric selectivity in the aryloxyphenoxypropionic acid class of herbicidal acetyl coenzyme A carboxylase (ACCase) inhibitors.

Journal: Journal of agricultural and food chemistry 20020731

Title: Microbial deracemization of alpha-substituted carboxylic acids.

Journal: Organic letters 20020207

Title: Enantiomeric separation of chiral phenoxy acid herbicides by electrokinetic chromatography. Application to the determination of analyte-selector apparent binding constants for enantiomers.

Journal: Electrophoresis 20010901

Title: Solvent-free optical resolution of N-methylamphetamine by distillation after partial diastereoisomeric salt formation.

Journal: Chirality 20010801

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