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19403-92-0 | 2,4,6-Triiodoresorcinol
CAS No: 19403-92-0 Catalog No: AG00AOQS MDL No:MFCD00463616
Product Description
Catalog Number:
AG00AOQS
Chemical Name:
2,4,6-Triiodoresorcinol
CAS Number:
19403-92-0
Molecular Formula:
C6H3I3O2
Molecular Weight:
487.8002
MDL Number:
MFCD00463616
IUPAC Name:
2,4,6-triiodobenzene-1,3-diol
InChI:
InChI=1S/C6H3I3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H
InChI Key:
XKFZYVWWXHCHIX-UHFFFAOYSA-N
SMILES:
Ic1cc(I)c(c(c1O)I)O
UNII:
RA62C2YQOZ
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
487.727g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
487.801g/mol
Monoisotopic Mass:
487.727g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Determination of 2,4,6-triiodoresorcinol and other side reaction products and intermediates in the colour additive FD&C Red No. 3 (erythrosine) using high-performance liquid chromatography. | Food additives and contaminants 20060601 |
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