4-Acetylphenoxyacetic acid

CAT: 0804-HY-121959-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0804-HY-121959-01Size:1 g

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Description

4-Acetylphenoxyacetic acid is a phenoxyacetic acid derivative. 4-Acetylphenoxyacetic acid can be synthesized from para-acetyl phenol. 4-Acetylphenoxyacetic acid can be used to study phenylacetic acid transport system of Pseudomonas putida U through the aerobic catabolism of phenylacetic aced derivative[1][2].

CAS Number

1878-81-5

UNSPSC

12352005

Hazard Statement

H315, H319, H335

Target

Biochemical Assay Reagents

Related Pathways

Others

Applications

Metabolism-sugar/lipid metabolism

Field of Research

Metabolic Disease

Purity

99.37

Smiles

O=C(COC1=CC=C(C(C)=O)C=C1)O

Molecular Formula

C10H10O4

Molecular Weight

194.18

Precautions

H315, H319, H335

References & Citations

[1]Zuniga C, et al., (2005) . Design of new potent hypolipidemic agents with the synergistic structural properties of α-asarone and fibrates. Drug Development Research, 64 (1) :28-40.=-12|[2]Schleissner, C., et al., (1994) . Aerobic catabolism of phenylacetic acid in Pseudomonas putida U: biochemical characterization of a specific phenylacetic acid transport system and formal demonstration that phenylacetyl-coenzyme A is a catabolic intermediate. Journal of bacteriology, 176 (24), 7667-7676.

Shipping Conditions

Room Temperature

Storage Conditions

Store at room temperature 3 years

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

(p-Acetylphenoxy)acetic acid

CAS Number	1878-81-5
PubChem CID	74655
IUPAC Name	2-(4-acetylphenoxy)acetic acid
Molecular Formula	C10H10O4
Molecular Weight	194.18
XLogP	0.9
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	216

SMILES

CC(=O)C1=CC=C(C=C1)OCC(=O)O

InChI

InChI=1S/C10H10O4/c1-7(11)8-2-4-9(5-3-8)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)

InChIKey

KMXZEXUYXUMHEQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1878-81-5

CID: 74655

Formula: C10H10O4

MW: 194.18

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	194.18
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	194.05790880
Monoisotopic Mass	194.05790880
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	216
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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4-Acetylphenoxyacetic acid

Chemical Information

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