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753001-95-5 | 1-Undecanol, 11-(2,4,6-triiodophenoxy)-
CAS No: 753001-95-5 Catalog No: AG005MEU MDL No:
Product Description
Catalog Number:
AG005MEU
Chemical Name:
1-Undecanol, 11-(2,4,6-triiodophenoxy)-
CAS Number:
753001-95-5
Molecular Formula:
C17H25I3O2
Molecular Weight:
642.0926
IUPAC Name:
11-(2,4,6-triiodophenoxy)undecan-1-ol
InChI:
InChI=1S/C17H25I3O2/c18-14-12-15(19)17(16(20)13-14)22-11-9-7-5-3-1-2-4-6-8-10-21/h12-13,21H,1-11H2
InChI Key:
ABAZOUWIAYJEFO-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCOc1c(I)cc(cc1I)I
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
641.899g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
642.098g/mol
Monoisotopic Mass:
641.899g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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