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139123-65-2 | 2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-, hydrate (1:1)
CAS No: 139123-65-2 Catalog No: AG001ACG MDL No:MFCD00149252
Product Description
Catalog Number:
AG001ACG
Chemical Name:
2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-, hydrate (1:1)
CAS Number:
139123-65-2
Molecular Formula:
C10H11NO5S
Molecular Weight:
257.2630
MDL Number:
MFCD00149252
IUPAC Name:
6-amino-4-hydroxynaphthalene-2-sulfonic acid;hydrate
InChI:
InChI=1S/C10H9NO4S.H2O/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7;/h1-5,12H,11H2,(H,13,14,15);1H2
InChI Key:
UDDZFUCCXGYYGP-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)c(O)cc(c2)S(=O)(=O)O.O
UNII:
IDF0N52Y79
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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