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99791-31-8

99791-31-8 | 1,3-Benzenedicarboxylic acid, 5-(aminosulfonyl)-, dimethyl ester

CAS No: 99791-31-8 Catalog No: AG004X7V MDL No:

Product Description

Catalog Number:
AG004X7V
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-(aminosulfonyl)-, dimethyl ester
CAS Number:
99791-31-8
Molecular Formula:
C10H11NO6S
Molecular Weight:
273.2624
IUPAC Name:
dimethyl 5-sulfamoylbenzene-1,3-dicarboxylate
InChI:
InChI=1S/C10H11NO6S/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)18(11,14)15/h3-5H,1-2H3,(H2,11,14,15)
InChI Key:
PSMJJKZEPWXRHW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)S(=O)(=O)N)C(=O)OC

Properties

Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.031g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.259g/mol
Monoisotopic Mass:
273.031g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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