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Home Other Building Blocks 3-(2,6-dimethylphenoxy)propanoic acid

3-(2,6-dimethylphenoxy)propanoic acid

CAS No.:
22383-95-5
Catalog Number:
AG019MC0
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
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Product Description
Catalog Number:
AG019MC0
Chemical Name:
3-(2,6-dimethylphenoxy)propanoic acid
CAS Number:
22383-95-5
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD09044373
IUPAC Name:
3-(2,6-dimethylphenoxy)propanoic acid
InChI:
InChI=1S/C11H14O3/c1-8-4-3-5-9(2)11(8)14-7-6-10(12)13/h3-5H,6-7H2,1-2H3,(H,12,13)
InChI Key:
YRAOLJXHKFKYKF-UHFFFAOYSA-N
SMILES:
OC(=O)CCOc1c(C)cccc1C
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Putting bioactivation reactions to work: Targeting antioxidants to mitochondria. Chemico-biological interactions 20110630
Mitochondrial biotransformation of omega-(phenoxy)alkanoic acids, 3-(phenoxy)acrylic acids, and omega-(1-methyl-1H-imidazol-2-ylthio)alkanoic acids: a prodrug strategy for targeting cytoprotective antioxidants to mitochondria. Bioorganic & medicinal chemistry 20100215
Properties