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73747-63-4 | 2-(3,5-DIIODO-4-(4-HYDROXY-3-IODOPHENOXY)BENZYL)MALONIC ACID
CAS No: 73747-63-4 Catalog No: AG005LJB MDL No:
Product Description
Catalog Number:
AG005LJB
Chemical Name:
2-(3,5-DIIODO-4-(4-HYDROXY-3-IODOPHENOXY)BENZYL)MALONIC ACID
CAS Number:
73747-63-4
Molecular Formula:
C16H11I3O6
Molecular Weight:
679.9683
IUPAC Name:
2-[[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]methyl]propanedioic acid
InChI:
InChI=1S/C16H11I3O6/c17-10-6-8(1-2-13(10)20)25-14-11(18)4-7(5-12(14)19)3-9(15(21)22)16(23)24/h1-2,4-6,9,20H,3H2,(H,21,22)(H,23,24)
InChI Key:
XFXREEZEFAWCRI-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(=O)O)Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
679.769g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
679.971g/mol
Monoisotopic Mass:
679.769g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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