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Home > Fluorides > 140838-93-3
140838-93-3 | 2-Propenoic acid, 2-methyl-, heptadecafluorononyl ester (9CI)
CAS No: 140838-93-3 Catalog No: AG001CW6 MDL No:
Product Description
Catalog Number:
AG001CW6
Chemical Name:
2-Propenoic acid, 2-methyl-, heptadecafluorononyl ester (9CI)
CAS Number:
140838-93-3
Molecular Formula:
C13H7F17O2
Molecular Weight:
518.1663
IUPAC Name:
1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,9-heptadecafluorononyl 2-methylprop-2-enoate
InChI:
InChI=1S/C13H7F17O2/c1-4(2)5(31)32-13(29,30)12(27,28)11(25,26)10(23,24)9(21,22)8(19,20)6(14,15)3-7(16,17)18/h1,3H2,2H3
InChI Key:
APKYEYDTMISEFG-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)OCC(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:
733
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.017g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
518.17g/mol
Monoisotopic Mass:
518.017g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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