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161240-14-8 | 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[2-(5-sulfo-1-naphthalenyl)diazenyl]-
CAS No: 161240-14-8 Catalog No: AG001SAH MDL No:
Product Description
Catalog Number:
AG001SAH
Chemical Name:
1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[2-(5-sulfo-1-naphthalenyl)diazenyl]-
CAS Number:
161240-14-8
Molecular Formula:
C20H14N2O10S3
Molecular Weight:
538.5276
IUPAC Name:
7-hydroxy-8-[(5-sulfonaphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonic acid
InChI:
InChI=1S/C20H14N2O10S3/c23-16-8-7-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-5-1-4-14-13(15)3-2-6-17(14)34(27,28)29/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32)
InChI Key:
XGZOQQXZGHTPPT-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1N=Nc1cccc3c1cccc3S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
1120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
537.981g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
538.516g/mol
Monoisotopic Mass:
537.981g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
233A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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