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30496-93-6

30496-93-6 | Benzenedisulfonic acid

CAS No: 30496-93-6 Catalog No: AG0030DI MDL No:

Product Description

Catalog Number:
AG0030DI
Chemical Name:
Benzenedisulfonic acid
CAS Number:
30496-93-6
Molecular Formula:
C6H6O6S2
Molecular Weight:
238.2382
IUPAC Name:
benzene-1,2-disulfonic acid
InChI:
InChI=1S/C6H6O6S2/c7-13(8,9)5-3-1-2-4-6(5)14(10,11)12/h1-4H,(H,7,8,9)(H,10,11,12)
InChI Key:
MIAUJDCQDVWHEV-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccccc1S(=O)(=O)O
EC Number:
250-219-2

Properties

Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.961g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
238.228g/mol
Monoisotopic Mass:
237.961g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  

Literature

Title Journal
Covalent and non-covalent binding in the ion/ion charge inversion of peptide cations with benzene-disulfonic acid anions. Journal of mass spectrometry : JMS 20120601

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