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568-63-8

568-63-8 | Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,3',6'-dihydroxy-2',4',5',7'-tetraiodo-, sodium salt (1:2)

CAS No: 568-63-8 Catalog No: AG00ILIG MDL No:MFCD00144257

Product Description

Catalog Number:
AG00ILIG
Chemical Name:
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,3',6'-dihydroxy-2',4',5',7'-tetraiodo-, sodium salt (1:2)
CAS Number:
568-63-8
MDL Number:
MFCD00144257
IUPAC Name:
disodium;2-(2,4,5,7-tetraiodo-3-oxido-6-oxoxanthen-9-yl)benzoate
InChI:
InChI=1S/C20H8I4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2
InChI Key:
IINNWAYUJNWZRM-UHFFFAOYSA-L
UNII:
8TL7LH93FM

Properties

Complexity:
797  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
879.619g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
879.86g/mol
Monoisotopic Mass:
879.619g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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