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Home > Fluorides > 113560-31-9
113560-31-9 | Hexanoic acid, 6-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)oxy]-
CAS No: 113560-31-9 Catalog No: AG000905 MDL No:
Product Description
Catalog Number:
AG000905
Chemical Name:
Hexanoic acid, 6-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)oxy]-
CAS Number:
113560-31-9
Molecular Formula:
C15H11F19O3
Molecular Weight:
600.2157
IUPAC Name:
6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)hexanoic acid
InChI:
InChI=1S/C15H11F19O3/c16-7(17,8(18,19)10(22,23)12(26,27)14(30,31)32)9(20,21)11(24,25)13(28,29)15(33,34)37-5-3-1-2-4-6(35)36/h1-5H2,(H,35,36)
InChI Key:
LLGMWOFTKRWPAW-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCOC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
801
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
600.04g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
22
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
600.22g/mol
Monoisotopic Mass:
600.04g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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