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14814-76-7 | Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, 2-[(1-oxo-2-propen-1-yl)oxy]ethyl ester
CAS No: 14814-76-7 Catalog No: AG001FHQ MDL No:
Product Description
Catalog Number:
AG001FHQ
Chemical Name:
Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, 2-[(1-oxo-2-propen-1-yl)oxy]ethyl ester
CAS Number:
14814-76-7
Molecular Formula:
C13H7F15O4
Molecular Weight:
512.1683
IUPAC Name:
2-prop-2-enoyloxyethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
InChI:
InChI=1S/C13H7F15O4/c1-2-5(29)31-3-4-32-6(30)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h2H,1,3-4H2
InChI Key:
HYPABTNNOFXMFZ-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCCOC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
725
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.01g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
512.171g/mol
Monoisotopic Mass:
512.01g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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