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300-37-8 | diodone
CAS No: 300-37-8 Catalog No: AG00BRL5 MDL No:
Product Description
Catalog Number:
AG00BRL5
Chemical Name:
diodone
CAS Number:
300-37-8
IUPAC Name:
2-(3,5-diiodo-4-oxopyridin-1-yl)acetic acid;2-(2-hydroxyethylamino)ethanol
InChI:
InChI=1S/C7H5I2NO3.C4H11NO2/c8-4-1-10(3-6(11)12)2-5(9)7(4)13;6-3-1-5-2-4-7/h1-2H,3H2,(H,11,12);5-7H,1-4H2
InChI Key:
RERHJVNYJKZHLJ-UHFFFAOYSA-N
EC Number:
206-089-4
UNII:
ZTK4026YJ5
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
509.915g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
510.067g/mol
Monoisotopic Mass:
509.915g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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