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53279-72-4 | 3-Hydroxy-2,4,6-triiodobenzoic acid
CAS No: 53279-72-4 Catalog No: AG003JJA MDL No:MFCD00020305
Product Description
Catalog Number:
AG003JJA
Chemical Name:
3-Hydroxy-2,4,6-triiodobenzoic acid
CAS Number:
53279-72-4
Molecular Formula:
C7H3I3O3
Molecular Weight:
515.8103
MDL Number:
MFCD00020305
IUPAC Name:
3-hydroxy-2,4,6-triiodobenzoic acid
InChI:
InChI=1S/C7H3I3O3/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1,11H,(H,12,13)
InChI Key:
GIAVHGFPMPSIFI-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(I)cc(c(c1I)O)I
EC Number:
258-457-9
NSC Number:
82352
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
515.722g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
515.811g/mol
Monoisotopic Mass:
515.722g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Production of N-acetyl-D-neuraminic acid using two sequential enzymes overexpressed as double-tagged fusion proteins. | BMC biotechnology 20090101 |
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