Home Sulfos Benzoic acid, 3-(aminosulfonyl)-4-methoxy-, methyl ester

Benzoic acid, 3-(aminosulfonyl)-4-methoxy-, methyl ester

CAS No.:
38499-95-5
Catalog Number:
AG0079C3
Molecular Formula:
C9H11NO5S
Molecular Weight:
245.2523
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Product Description
Catalog Number:
AG0079C3
Chemical Name:
Benzoic acid, 3-(aminosulfonyl)-4-methoxy-, methyl ester
CAS Number:
38499-95-5
Molecular Formula:
C9H11NO5S
Molecular Weight:
245.2523
IUPAC Name:
methyl 4-methoxy-3-sulfamoylbenzoate
InChI:
InChI=1S/C9H11NO5S/c1-14-7-4-3-6(9(11)15-2)5-8(7)16(10,12)13/h3-5H,1-2H3,(H2,10,12,13)
InChI Key:
RGFZGFGNWDFHJI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)S(=O)(=O)N)OC
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.036g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.249g/mol
Monoisotopic Mass:
245.036g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties