Home Sulfos 5-{[(2-hydroxyethyl)(methyl)amino]sulfonyl}-2-methoxybenzoic acid

5-{[(2-hydroxyethyl)(methyl)amino]sulfonyl}-2-methoxybenzoic acid

CAS No.:
327093-76-5
Catalog Number:
AG00C5U7
Molecular Formula:
C11H15NO6S
Molecular Weight:
289.3049
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Product Description
Catalog Number:
AG00C5U7
Chemical Name:
5-{[(2-hydroxyethyl)(methyl)amino]sulfonyl}-2-methoxybenzoic acid
CAS Number:
327093-76-5
Molecular Formula:
C11H15NO6S
Molecular Weight:
289.3049
MDL Number:
MFCD02659567
IUPAC Name:
5-[2-hydroxyethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
InChI:
InChI=1S/C11H15NO6S/c1-12(5-6-13)19(16,17)8-3-4-10(18-2)9(7-8)11(14)15/h3-4,7,13H,5-6H2,1-2H3,(H,14,15)
InChI Key:
UVZGQTDQOZDFRW-UHFFFAOYSA-N
SMILES:
OCCN(S(=O)(=O)c1ccc(c(c1)C(=O)O)OC)C
Properties
Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.062g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
289.302g/mol
Monoisotopic Mass:
289.062g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties