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51839-16-8 | 5-iodoisophthalic acid
CAS No: 51839-16-8 Catalog No: AG00DK8O MDL No:
Product Description
Catalog Number:
AG00DK8O
Chemical Name:
5-iodoisophthalic acid
CAS Number:
51839-16-8
IUPAC Name:
5-iodobenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H5IO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
QMDFYAWUWIIQFM-UHFFFAOYSA-N
EC Number:
257-466-5
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.923g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.028g/mol
Monoisotopic Mass:
291.923g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| 1-{[4'-(1H-1,2,4-Triazol-2-ium-1-ylmeth-yl)biphenyl-4-yl]meth-yl}-1H-1,2,4-triazol-2-ium bis-(3-carb-oxy-5-iodo-benzoate)-5-iodo-benzene-3,5-dicarb-oxy-lic acid-water (1/2/2). | Acta crystallographica. Section E, Structure reports online 20120501 |
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