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Perfluorotridecanoic acid

CAS No.:
72629-94-8
Catalog Number:
AG003TNH
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003TNH
Chemical Name:
Perfluorotridecanoic acid
CAS Number:
72629-94-8
MDL Number:
MFCD07369784
IUPAC Name:
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanoic acid
InChI:
InChI=1S/C13HF25O2/c14-2(15,1(39)40)3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)38/h(H,39,40)
InChI Key:
LVDGGZAZAYHXEY-UHFFFAOYSA-N
EC Number:
276-745-2
Properties
Complexity:
970  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
663.958g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
27  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
664.109g/mol
Monoisotopic Mass:
663.958g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3  
Literature
Title Journal
Dietary exposure to perfluoroalkyl acids for the Swedish population in 1999, 2005 and 2010. Environment international 20121115
Serum concentrations of major perfluorinated compounds among the general population in Korea: dietary sources and potential impact on thyroid hormones. Environment international 20120915
Levels and profiles of long-chain perfluorinated carboxylic acids in human breast milk and infant formulas in East Asia. Chemosphere 20120101
Analysis of perfluoroalkyl carboxylates in vacuum cleaner dust samples in Japan. Chemosphere 20111201
Temporal trends and pattern of polyfluoroalkyl compounds in Tawny Owl (Strix aluco) eggs from Norway, 1986-2009. Environmental science & technology 20111001
Spatial and temporal trends of perfluorinated compounds in Beluga Whales (Delphinapterus leucas) from Alaska. Environmental science & technology 20111001
Odd-numbered perfluorocarboxylates predominate over perfluorooctanoic acid in serum samples from Japan, Korea and Vietnam. Environment international 20111001
Trans-placental transfer of thirteen perfluorinated compounds and relations with fetal thyroid hormones. Environmental science & technology 20110901
Perfluorinated compounds are related to breast cancer risk in Greenlandic Inuit: a case control study. Environmental health : a global access science source 20110101
Subchronic toxicity of S-111-S-WB in Sprague Dawley rats. International journal of toxicology 20100701
Temporal trends of perfluorinated surfactants in Swedish peregrine falcon eggs (Falco peregrinus), 1974-2007. Environmental science & technology 20100601
Time trends of perfluorinated compounds from the sediment core of Tokyo Bay, Japan (1950s-2004). Environmental pollution (Barking, Essex : 1987) 20100301
Do perfluoroalkyl compounds impair human semen quality? Environmental health perspectives 20090601
Occurrence and sources of perfluorinated surfactants in rivers in Japan. Environmental science & technology 20080901
Tissue distribution of perfluorinated surfactants in common guillemot (Uria aalge) from the Baltic Sea. Environmental science & technology 20080815
Trends of perfluorinated alkyl substances in herring gull eggs from two coastal colonies in northern Norway: 1983-2003. Environmental science & technology 20071001
Perfluorinated alkyl substances in plasma, liver, brain, and eggs of glaucous gulls (Larus hyperboreus) from the Norwegian arctic. Environmental science & technology 20051001
Method for trace level analysis of C8, C9, C10, C11, and C13 perfluorocarbon carboxylic acids in water. Analytical chemistry 20050301
Isolating isomers of perfluorocarboxylates in polar bears (Ursus maritimus) from two geographical locations. Environmental science & technology 20041215
Properties