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Home > Fluorides > 117374-33-1
117374-33-1 | Nonanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-, 2-propen-1-yl ester
CAS No: 117374-33-1 Catalog No: AG000E67 MDL No:MFCD00080400
Product Description
Catalog Number:
AG000E67
Chemical Name:
Nonanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-, 2-propen-1-yl ester
CAS Number:
117374-33-1
Molecular Formula:
C12H5F17O2
Molecular Weight:
504.1398
MDL Number:
MFCD00080400
IUPAC Name:
prop-2-enyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
InChI:
InChI=1S/C12H5F17O2/c1-2-3-31-4(30)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2H,1,3H2
InChI Key:
DCARDCAPXKDJAG-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)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
Properties
Complexity:
690
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.002g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
504.143g/mol
Monoisotopic Mass:
504.002g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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