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885-04-1 | 5-Quinolinesulfonicacid, 8-hydroxy-7-iodo-, sodium salt (1:1)
CAS No: 885-04-1 Catalog No: AG00489Z MDL No:
Product Description
Catalog Number:
AG00489Z
Chemical Name:
5-Quinolinesulfonicacid, 8-hydroxy-7-iodo-, sodium salt (1:1)
CAS Number:
885-04-1
Molecular Formula:
C9H5INNaO4S
Molecular Weight:
373.0995
IUPAC Name:
sodium;8-hydroxy-7-iodoquinoline-5-sulfonate
InChI:
InChI=1S/C9H6INO4S.Na/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12;/h1-4,12H,(H,13,14,15);/q;+1/p-1
InChI Key:
NWAPYWBKEFRREH-UHFFFAOYSA-M
SMILES:
Ic1cc(c2c(c1O)nccc2)S(=O)(=O)[O-].[Na+]
EC Number:
212-940-0
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.888g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.096g/mol
Monoisotopic Mass:
372.888g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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