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13069-04-0 | 3,5-Pyridinedisulfonic acid
CAS No: 13069-04-0 Catalog No: AG000UTO MDL No:
Product Description
Catalog Number:
AG000UTO
Chemical Name:
3,5-Pyridinedisulfonic acid
CAS Number:
13069-04-0
Molecular Formula:
C5H5NO6S2
Molecular Weight:
239.2263
IUPAC Name:
pyridine-3,5-disulfonic acid
InChI:
InChI=1S/C5H5NO6S2/c7-13(8,9)4-1-5(3-6-2-4)14(10,11)12/h1-3H,(H,7,8,9)(H,10,11,12)
InChI Key:
QRYROSZXZPINDI-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1cncc(c1)S(=O)(=O)O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.956g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.216g/mol
Monoisotopic Mass:
238.956g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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