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Home Sulfos 1,3-Benzenedisulfonicacid, 4-formyl-

1,3-Benzenedisulfonicacid, 4-formyl-

CAS No.:
88-39-1
Catalog Number:
AG004LJ3
Molecular Formula:
C7H6O7S2
Molecular Weight:
266.2483
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Product Description
Catalog Number:
AG004LJ3
Chemical Name:
1,3-Benzenedisulfonicacid, 4-formyl-
CAS Number:
88-39-1
Molecular Formula:
C7H6O7S2
Molecular Weight:
266.2483
MDL Number:
MFCD00450438
IUPAC Name:
4-formylbenzene-1,3-disulfonic acid
InChI:
InChI=1S/C7H6O7S2/c8-4-5-1-2-6(15(9,10)11)3-7(5)16(12,13)14/h1-4H,(H,9,10,11)(H,12,13,14)
InChI Key:
PQYVGRGYAZDHFY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1S(=O)(=O)O)S(=O)(=O)O
EC Number:
201-826-6
Properties
Complexity:
452  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.955g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
266.238g/mol
Monoisotopic Mass:
265.955g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
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
Gas-phase bioconjugation of peptides via ion/ion charge inversion: Schiff base formation on the conversion of cations to anions. Analytical chemistry 20100301
Reversed phase ion-pair high performance liquid chromatographic gradient separation of related impurities in 2,4-disulfonic acid benzaldehyde di-sodium salt. Journal of chromatography. A 20060630
Properties