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87413-09-0 | (1,1,1-Triacetoxy)-1,1-dihydro-1,2-benziodoxol-3(1H)-one
CAS No: 87413-09-0 Catalog No: AG0035XK MDL No:MFCD00130127
Product Description
Catalog Number:
AG0035XK
Chemical Name:
(1,1,1-Triacetoxy)-1,1-dihydro-1,2-benziodoxol-3(1H)-one
CAS Number:
87413-09-0
Molecular Formula:
C13H13IO8
Molecular Weight:
424.1420
MDL Number:
MFCD00130127
IUPAC Name:
(1,1-diacetyloxy-3-oxo-1λ5,2-benziodoxol-1-yl) acetate
InChI:
InChI=1S/C13H13IO8/c1-8(15)19-14(20-9(2)16,21-10(3)17)12-7-5-4-6-11(12)13(18)22-14/h4-7H,1-3H3
InChI Key:
NKLCNNUWBJBICK-UHFFFAOYSA-N
SMILES:
CC(=O)O[I]1(OC(=O)C)(OC(=O)C)OC(=O)c2c1cccc2
UNII:
336B74JK56
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.966g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.143g/mol
Monoisotopic Mass:
423.966g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis of imides, N-acyl vinylogous carbamates and ureas, and nitriles by oxidation of amides and amines with Dess-Martin periodinane. | Angewandte Chemie (International ed. in English) 20050919 |
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