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1185748-84-8 | Diatrizoate sodium dihydrate
CAS No: 1185748-84-8 Catalog No: AG01FNYZ MDL No:
Product Description
Catalog Number:
AG01FNYZ
Chemical Name:
Diatrizoate sodium dihydrate
CAS Number:
1185748-84-8
IUPAC Name:
sodium;3,5-diacetamido-2,4,6-triiodobenzoate;dihydrate
InChI:
InChI=1S/C11H9I3N2O4.Na.2H2O/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;;;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);;2*1H2/q;+1;;/p-1
InChI Key:
FYKNPYPSVYEOLR-UHFFFAOYSA-M
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
671.773g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
671.928g/mol
Monoisotopic Mass:
671.773g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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