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119-30-2 | 2-Hydroxy-5-iodobenzoic acid
CAS No: 119-30-2 Catalog No: AG003HES MDL No:MFCD00002458
Product Description
Catalog Number:
AG003HES
Chemical Name:
2-Hydroxy-5-iodobenzoic acid
CAS Number:
119-30-2
Molecular Formula:
C7H5IO3
Molecular Weight:
264.0173
MDL Number:
MFCD00002458
IUPAC Name:
2-hydroxy-5-iodobenzoic acid
InChI:
InChI=1S/C7H5IO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChI Key:
SWDNKOFGNPGRPI-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)C(=O)O)O
EC Number:
204-313-5
NSC Number:
2789
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.928g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.018g/mol
Monoisotopic Mass:
263.928g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Iodination of salicylic acid improves its binding to transthyretin. | Biochimica et biophysica acta 20080301 |
| Analysis of the involvement of human N-acetyltransferase 1 in the genotoxic activation of bladder carcinogenic arylamines using a SOS/umu assay system. | Mutation research 20041004 |
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