Home Sulfos 3-amino-4-ethylbenzenesulfonic acid

3-amino-4-ethylbenzenesulfonic acid

CAS No.:
3694-83-5
Catalog Number:
AG0077BF
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
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Product Description
Catalog Number:
AG0077BF
Chemical Name:
3-amino-4-ethylbenzenesulfonic acid
CAS Number:
3694-83-5
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
MDL Number:
MFCD24625440
IUPAC Name:
3-amino-4-ethylbenzenesulfonic acid
InChI:
InChI=1S/C8H11NO3S/c1-2-6-3-4-7(5-8(6)9)13(10,11)12/h3-5H,2,9H2,1H3,(H,10,11,12)
InChI Key:
CORQIZCSHKRWRQ-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1N)S(=O)(=O)O
EC Number:
223-014-0
Properties
Complexity:
257  
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:
2  
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties