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84501-53-1 | 2-(3,6-dihydroxy-2,4,5,7-tetraiodoxanthen-9-yl)benzoic acid, aluminium sodium salt
CAS No: 84501-53-1 Catalog No: AG00GPJC MDL No:
Product Description
Catalog Number:
AG00GPJC
Chemical Name:
2-(3,6-dihydroxy-2,4,5,7-tetraiodoxanthen-9-yl)benzoic acid, aluminium sodium salt
CAS Number:
84501-53-1
IUPAC Name:
aluminum;sodium;3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one
InChI:
InChI=1S/C20H8I4O5.Al.Na/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20;;/h1-6,25-26H;;/q;+3;+1
InChI Key:
JJJZCACNRYRZFZ-UHFFFAOYSA-N
EC Number:
282-972-8
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
885.626g/mol
Formal Charge:
4
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
885.868g/mol
Monoisotopic Mass:
885.626g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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