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500711-80-8 | Hexadecanedioic acid, mono(2,4,6-triiodophenyl) ester
CAS No: 500711-80-8 Catalog No: AG006WCM MDL No:
Product Description
Catalog Number:
AG006WCM
Chemical Name:
Hexadecanedioic acid, mono(2,4,6-triiodophenyl) ester
CAS Number:
500711-80-8
Molecular Formula:
C22H30I3O4-
Molecular Weight:
739.1846
IUPAC Name:
16-oxo-16-(2,4,6-triiodophenoxy)hexadecanoate
InChI:
InChI=1S/C22H31I3O4/c23-17-15-18(24)22(19(25)16-17)29-21(28)14-12-10-8-6-4-2-1-3-5-7-9-11-13-20(26)27/h15-16H,1-14H2,(H,26,27)/p-1
InChI Key:
HKPCPKRZKKIKGZ-UHFFFAOYSA-M
SMILES:
[O-]C(=O)CCCCCCCCCCCCCCC(=O)Oc1c(I)cc(cc1I)I
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
738.928g/mol
Formal Charge:
-1
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
739.191g/mol
Monoisotopic Mass:
738.928g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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