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3163-81-3 | 3-(4-hydroxy-3,5-diiodophenyl)-2-(4-iodophenyl)prop-2-enoic acid
CAS No: 3163-81-3 Catalog No: AG007IS4 MDL No:
Product Description
Catalog Number:
AG007IS4
Chemical Name:
3-(4-hydroxy-3,5-diiodophenyl)-2-(4-iodophenyl)prop-2-enoic acid
CAS Number:
3163-81-3
Molecular Formula:
C15H9I3O3
Molecular Weight:
617.9436
IUPAC Name:
3-(4-hydroxy-3,5-diiodophenyl)-2-(4-iodophenyl)prop-2-enoic acid
InChI:
InChI=1S/C15H9I3O3/c16-10-3-1-9(2-4-10)11(15(20)21)5-8-6-12(17)14(19)13(18)7-8/h1-7,19H,(H,20,21)
InChI Key:
PPTRTPWUTBZHIW-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)C(=Cc1cc(I)c(c(c1)I)O)C(=O)O
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
617.769g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
617.947g/mol
Monoisotopic Mass:
617.769g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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