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98-44-2 | 2-Aminobenzene-1,4-disulfonic acid
CAS No: 98-44-2 Catalog No: AG003NWI MDL No:MFCD00035753
Product Description
Catalog Number:
AG003NWI
Chemical Name:
2-Aminobenzene-1,4-disulfonic acid
CAS Number:
98-44-2
Molecular Formula:
C6H7NO6S2
Molecular Weight:
253.2529
MDL Number:
MFCD00035753
IUPAC Name:
2-aminobenzene-1,4-disulfonic acid
InChI:
InChI=1S/C6H7NO6S2/c7-5-3-4(14(8,9)10)1-2-6(5)15(11,12)13/h1-3H,7H2,(H,8,9,10)(H,11,12,13)
InChI Key:
LDCCBULMAFILCT-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O
EC Number:
202-669-6
UNII:
5E2OT6T2PS
NSC Number:
5580
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.971g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
253.243g/mol
Monoisotopic Mass:
252.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Photolysis of aqueous solutions of aniline-2,5-disulfonic acid: steady state and laser flash photolysis studies. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20020701 |
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