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201235-52-1 | 2-Naphthalenesulfonic acid, 4-hydroxy-6-[(4-methoxyphenyl)amino]-, sodium salt (1:1)
CAS No: 201235-52-1 Catalog No: AG002DA4 MDL No:
Product Description
Catalog Number:
AG002DA4
Chemical Name:
2-Naphthalenesulfonic acid, 4-hydroxy-6-[(4-methoxyphenyl)amino]-, sodium salt (1:1)
CAS Number:
201235-52-1
Molecular Formula:
C17H14NNaO5S
Molecular Weight:
367.3515
IUPAC Name:
4-hydroxy-6-(4-methoxyanilino)naphthalene-2-sulfonic acid
InChI:
InChI=1S/C17H15NO5S/c1-23-14-6-4-12(5-7-14)18-13-3-2-11-8-15(24(20,21)22)10-17(19)16(11)9-13/h2-10,18-19H,1H3,(H,20,21,22)
InChI Key:
LXGSMTAOXORMQX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Nc1ccc2c(c1)c(O)cc(c2)S(=O)(=O)[O-].[Na+]
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.067g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
345.369g/mol
Monoisotopic Mass:
345.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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