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88055-22-5 | Ethanedioic acid, bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl) ester
CAS No: 88055-22-5 Catalog No: AG004IHQ MDL No:
Product Description
Catalog Number:
AG004IHQ
Chemical Name:
Ethanedioic acid, bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl) ester
CAS Number:
88055-22-5
Molecular Formula:
C16H6F24O4
Molecular Weight:
718.1781
IUPAC Name:
bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl) oxalate
InChI:
InChI=1S/C16H6F24O4/c17-5(18)9(25,26)13(33,34)15(37,38)11(29,30)7(21,22)1-43-3(41)4(42)44-2-8(23,24)12(31,32)16(39,40)14(35,36)10(27,28)6(19)20/h5-6H,1-2H2
InChI Key:
DUCBESYHBRHEKU-UHFFFAOYSA-N
SMILES:
FC(C(C(C(C(C(COC(=O)C(=O)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Properties
Complexity:
967
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
717.988g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
28
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
718.182g/mol
Monoisotopic Mass:
717.988g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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