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28539-45-9 | 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[2-(8-hydroxy-7-quinolinyl)diazenyl]-
CAS No: 28539-45-9 Catalog No: AG002VNB MDL No:
Product Description
Catalog Number:
AG002VNB
Chemical Name:
2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[2-(8-hydroxy-7-quinolinyl)diazenyl]-
CAS Number:
28539-45-9
Molecular Formula:
C19H13N3O8S2
Molecular Weight:
475.4518
IUPAC Name:
4-hydroxy-5-[(8-hydroxyquinolin-7-yl)diazenyl]naphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C19H13N3O8S2/c23-16-9-13(32(28,29)30)7-11-6-12(31(25,26)27)8-15(17(11)16)22-21-14-4-3-10-2-1-5-20-18(10)19(14)24/h1-9,23-24H,(H,25,26,27)(H,28,29,30)
InChI Key:
PCCQCUACUKRGML-UHFFFAOYSA-N
SMILES:
Oc1cc(cc2c1c(N=Nc1ccc3c(c1O)nccc3)cc(c2)S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
916
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.014g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
475.446g/mol
Monoisotopic Mass:
475.014g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
204A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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