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117-43-1

117-43-1 | 1,6-Naphthalenedisulfonic acid, 8-hydroxy-

CAS No: 117-43-1 Catalog No: AG000DHL MDL No:MFCD00035718

Product Description

Catalog Number:
AG000DHL
Chemical Name:
1,6-Naphthalenedisulfonic acid, 8-hydroxy-
CAS Number:
117-43-1
Molecular Formula:
C10H8O7S2
Molecular Weight:
304.2963
MDL Number:
MFCD00035718
IUPAC Name:
8-hydroxynaphthalene-1,6-disulfonic acid
InChI:
InChI=1S/C10H8O7S2/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)
InChI Key:
XQAFHGXXHIZSGZ-UHFFFAOYSA-N
SMILES:
Oc1cc(cc2c1c(ccc2)S(=O)(=O)O)S(=O)(=O)O
EC Number:
204-189-2
NSC Number:
8628

Properties

Complexity:
527  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.971g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
304.287g/mol
Monoisotopic Mass:
303.971g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

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