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839672-02-5 | Pentanoic acid, 5-(2,4,6-triiodophenoxy)-
CAS No: 839672-02-5 Catalog No: AG004R3P MDL No:
Product Description
Catalog Number:
AG004R3P
Chemical Name:
Pentanoic acid, 5-(2,4,6-triiodophenoxy)-
CAS Number:
839672-02-5
Molecular Formula:
C11H11I3O3
Molecular Weight:
571.9167
IUPAC Name:
5-(2,4,6-triiodophenoxy)pentanoic acid
InChI:
InChI=1S/C11H11I3O3/c12-7-5-8(13)11(9(14)6-7)17-4-2-1-3-10(15)16/h5-6H,1-4H2,(H,15,16)
InChI Key:
KLVJBRGZZSWXGI-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCOc1c(I)cc(cc1I)I
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
571.784g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
571.919g/mol
Monoisotopic Mass:
571.784g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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