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Home Sulfos 3,4-Dimethylaniline-6-sulfonic acid

3,4-Dimethylaniline-6-sulfonic acid

CAS No.:
56375-83-8
Catalog Number:
AG00E94I
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
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Product Description
Catalog Number:
AG00E94I
Chemical Name:
3,4-Dimethylaniline-6-sulfonic acid
CAS Number:
56375-83-8
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
MDL Number:
MFCD00036093
IUPAC Name:
2-amino-4,5-dimethylbenzenesulfonic acid
InChI:
InChI=1S/C8H11NO3S/c1-5-3-7(9)8(4-6(5)2)13(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)
InChI Key:
XROQUIUUGKYCQN-UHFFFAOYSA-N
SMILES:
Cc1cc(N)c(cc1C)S(=O)(=O)O
EC Number:
260-136-3
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.046g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
201.24g/mol
Monoisotopic Mass:
201.046g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Poly[[(μ(2)-2-amino-4,5-dimethybenzene-sulfonato-κN:O)(μ(2)-2-methyl-pyrazine-κN:N')silver(I)] monohydrate]. Acta crystallographica. Section E, Structure reports online 20080101
Properties