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126485-27-6 | 2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-3-[2-[2-(2-hydroxyethoxy)-4-(2-phenyldiazenyl)phenyl]diazenyl]-
CAS No: 126485-27-6 Catalog No: AG000SUT MDL No:
Product Description
Catalog Number:
AG000SUT
Chemical Name:
2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-3-[2-[2-(2-hydroxyethoxy)-4-(2-phenyldiazenyl)phenyl]diazenyl]-
CAS Number:
126485-27-6
Molecular Formula:
C24H21N5O6S
Molecular Weight:
507.5184
IUPAC Name:
6-amino-4-hydroxy-3-[[2-(2-hydroxyethoxy)-4-phenyldiazenylphenyl]diazenyl]naphthalene-2-sulfonic acid
InChI:
InChI=1S/C24H21N5O6S/c25-16-7-6-15-12-22(36(32,33)34)23(24(31)19(15)13-16)29-28-20-9-8-18(14-21(20)35-11-10-30)27-26-17-4-2-1-3-5-17/h1-9,12-14,30-31H,10-11,25H2,(H,32,33,34)
InChI Key:
PHGCRLCPMZIBOE-UHFFFAOYSA-N
SMILES:
OCCOc1cc(ccc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)N=Nc1ccccc1
Properties
Complexity:
862
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.121g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
507.521g/mol
Monoisotopic Mass:
507.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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