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139123-66-3 | 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-, hydrate (1:1)
CAS No: 139123-66-3 Catalog No: AG001ACF MDL No:MFCD00149251
Product Description
Catalog Number:
AG001ACF
Chemical Name:
2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-, hydrate (1:1)
CAS Number:
139123-66-3
Molecular Formula:
C10H11NO5S
Molecular Weight:
257.2630
MDL Number:
MFCD00149251
IUPAC Name:
7-amino-4-hydroxynaphthalene-2-sulfonic acid;hydrate
InChI:
InChI=1S/C10H9NO4S.H2O/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15;/h1-5,12H,11H2,(H,13,14,15);1H2
InChI Key:
ACNSFTVESQFFAE-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O.O
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
257.26g/mol
Monoisotopic Mass:
257.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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