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26585-57-9 | 1,4-Benzenedisulfonic acid, 2-amino-5-methyl-
CAS No: 26585-57-9 Catalog No: AG002TRH MDL No:MFCD00129908
Product Description
Catalog Number:
AG002TRH
Chemical Name:
1,4-Benzenedisulfonic acid, 2-amino-5-methyl-
CAS Number:
26585-57-9
Molecular Formula:
C7H9NO6S2
Molecular Weight:
267.2795
MDL Number:
MFCD00129908
IUPAC Name:
2-amino-5-methylbenzene-1,4-disulfonic acid
InChI:
InChI=1S/C7H9NO6S2/c1-4-2-7(16(12,13)14)5(8)3-6(4)15(9,10)11/h2-3H,8H2,1H3,(H,9,10,11)(H,12,13,14)
InChI Key:
YYRVBCBZQPTVEO-UHFFFAOYSA-N
SMILES:
Cc1cc(c(cc1S(=O)(=O)O)N)S(=O)(=O)O
EC Number:
247-823-3
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.987g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
267.27g/mol
Monoisotopic Mass:
266.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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