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88752-37-8 | 2-Propenoic acid,2-methyl-,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecylester
CAS No: 88752-37-8 Catalog No: AG004CO6 MDL No:
Product Description
Catalog Number:
AG004CO6
Chemical Name:
2-Propenoic acid,2-methyl-,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecylester
CAS Number:
88752-37-8
Molecular Formula:
C16H11F19O3
Molecular Weight:
612.2264
IUPAC Name:
[4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl] 2-methylprop-2-enoate
InChI:
InChI=1S/C16H11F19O3/c1-5(2)7(37)38-4-6(36)3-8(17,18)10(20,21)12(24,25)14(28,29)13(26,27)11(22,23)9(19,15(30,31)32)16(33,34)35/h6,36H,1,3-4H2,2H3
InChI Key:
WNVNMSONKCMAPU-UHFFFAOYSA-N
SMILES:
OC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(=O)C(=C)C
Properties
Complexity:
871
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
612.04g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
22
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
612.231g/mol
Monoisotopic Mass:
612.04g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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