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86130-60-1 | (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl) hydrogen fumarate
CAS No: 86130-60-1 Catalog No: AG004KWW MDL No:
Product Description
Catalog Number:
AG004KWW
Chemical Name:
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl) hydrogen fumarate
CAS Number:
86130-60-1
Molecular Formula:
C14H7F17O4
Molecular Weight:
562.1758
IUPAC Name:
(E)-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C14H7F17O4/c15-7(16,3-4-35-6(34)2-1-5(32)33)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1-2H,3-4H2,(H,32,33)/b2-1+
InChI Key:
ULSWUGAAPQZIFJ-OWOJBTEDSA-N
SMILES:
O=C(/C=C/C(=O)O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
EC Number:
289-195-3
Properties
Complexity:
827
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
562.007g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
21
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
562.179g/mol
Monoisotopic Mass:
562.007g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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