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29128-55-0

29128-55-0 | 1-Naphthalenesulfonic acid, 2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-

CAS No: 29128-55-0 Catalog No: AG002XFI MDL No:

Product Description

Catalog Number:
AG002XFI
Chemical Name:
1-Naphthalenesulfonic acid, 2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-
CAS Number:
29128-55-0
Molecular Formula:
C20H14N2O4S
Molecular Weight:
378.4012
IUPAC Name:
2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
InChI:
InChI=1S/C20H14N2O4S/c23-18-12-10-13-5-1-3-7-15(13)19(18)22-21-17-11-9-14-6-2-4-8-16(14)20(17)27(24,25)26/h1-12,23H,(H,24,25,26)
InChI Key:
SRPCPRSDICCCRQ-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2
EC Number:
249-459-0
NSC Number:
16089

Properties

Complexity:
647  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.067g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
378.402g/mol
Monoisotopic Mass:
378.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  

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