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653600-11-4 | 5-Quinolinesulfonic acid, 8-hydroxy-7-[(2-hydroxy-4-sulfophenyl)azo]-
CAS No: 653600-11-4 Catalog No: AG006S1V MDL No:
Product Description
Catalog Number:
AG006S1V
Chemical Name:
5-Quinolinesulfonic acid, 8-hydroxy-7-[(2-hydroxy-4-sulfophenyl)azo]-
CAS Number:
653600-11-4
Molecular Formula:
C15H11N3O8S2
Molecular Weight:
425.3931
IUPAC Name:
8-hydroxy-7-[(2-hydroxy-4-sulfophenyl)diazenyl]quinoline-5-sulfonic acid
InChI:
InChI=1S/C15H11N3O8S2/c19-12-6-8(27(21,22)23)3-4-10(12)17-18-11-7-13(28(24,25)26)9-2-1-5-16-14(9)15(11)20/h1-7,19-20H,(H,21,22,23)(H,24,25,26)
InChI Key:
YIBPQSWVWQZUFV-UHFFFAOYSA-N
SMILES:
Oc1cc(ccc1N=Nc1cc(c2c(c1O)nccc2)S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
791
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.999g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
425.386g/mol
Monoisotopic Mass:
424.999g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
204A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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