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137-51-9 | 1,3-Benzenedisulfonic acid, 4-amino-
CAS No: 137-51-9 Catalog No: AG0012P6 MDL No:MFCD00035903
Product Description
Catalog Number:
AG0012P6
Chemical Name:
1,3-Benzenedisulfonic acid, 4-amino-
CAS Number:
137-51-9
Molecular Formula:
C6H7NO6S2
Molecular Weight:
253.2529
MDL Number:
MFCD00035903
IUPAC Name:
4-aminobenzene-1,3-disulfonic acid
InChI:
InChI=1S/C6H7NO6S2/c7-5-2-1-4(14(8,9)10)3-6(5)15(11,12)13/h1-3H,7H2,(H,8,9,10)(H,11,12,13)
InChI Key:
IMUUNYPYNWXUBO-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1S(=O)(=O)O)S(=O)(=O)O
EC Number:
205-299-3
UNII:
OBE9XQ0O96
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:
-1.6
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