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89176-07-8

89176-07-8 | 8-Pentadecen-7-one, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-, (E)-

CAS No: 89176-07-8 Catalog No: AG003WA3 MDL No:

Product Description

Catalog Number:
AG003WA3
Chemical Name:
8-Pentadecen-7-one, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-, (E)-
CAS Number:
89176-07-8
Molecular Formula:
C15H15F13O
Molecular Weight:
458.2582
IUPAC Name:
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadec-8-en-7-one
InChI:
InChI=1S/C15H15F13O/c1-2-3-4-5-6-7-8-9(29)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h7-8H,2-6H2,1H3
InChI Key:
GILJTKUXAXOZRQ-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C/C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Properties

Complexity:
590  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.092g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.263g/mol
Monoisotopic Mass:
458.092g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
7.8  

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