Home Sulfos 3-(aminosulfonyl)-4,5-dimethylbenzoic acid

3-(aminosulfonyl)-4,5-dimethylbenzoic acid

CAS No.:
62971-64-6
Catalog Number:
AG00EE2W
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
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Product Description
Catalog Number:
AG00EE2W
Chemical Name:
3-(aminosulfonyl)-4,5-dimethylbenzoic acid
CAS Number:
62971-64-6
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD07362140
IUPAC Name:
3,4-dimethyl-5-sulfamoylbenzoic acid
InChI:
InChI=1S/C9H11NO4S/c1-5-3-7(9(11)12)4-8(6(5)2)15(10,13)14/h3-4H,1-2H3,(H,11,12)(H2,10,13,14)
InChI Key:
XPJVOWIAQQEUFK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C)c(c(c1)S(=O)(=O)N)C
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties