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259685-50-2 | 2-Naphthalenesulfonic acid, 4-hydroxy-6-[(2-sulfoethyl)amino]-, sodium salt (1:2)
CAS No: 259685-50-2 Catalog No: AG002R8C MDL No:
Product Description
Catalog Number:
AG002R8C
Chemical Name:
2-Naphthalenesulfonic acid, 4-hydroxy-6-[(2-sulfoethyl)amino]-, sodium salt (1:2)
CAS Number:
259685-50-2
Molecular Formula:
C12H12NNa2O7S2+
Molecular Weight:
392.3357
IUPAC Name:
4-hydroxy-6-(2-sulfoethylamino)naphthalene-2-sulfonic acid
InChI:
InChI=1S/C12H13NO7S2/c14-12-7-10(22(18,19)20)5-8-1-2-9(6-11(8)12)13-3-4-21(15,16)17/h1-2,5-7,13-14H,3-4H2,(H,15,16,17)(H,18,19,20)
InChI Key:
HWWFJQPDPYNEJG-UHFFFAOYSA-N
SMILES:
Oc1cc(cc2c1cc(NCCS(=O)(=O)O)cc2)S(=O)(=O)[O-].[Na+].[Na+]
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.013g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
347.356g/mol
Monoisotopic Mass:
347.013g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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