Home Sulfos 1,3-Benzenedicarboxylic acid, 5-[Methyl(Methylsulfonyl)aMino]-,MonoMethyl ester

1,3-Benzenedicarboxylic acid, 5-[Methyl(Methylsulfonyl)aMino]-,MonoMethyl ester

CAS No.:
695215-94-2
Catalog Number:
AG00FHOP
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00FHOP
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-[Methyl(Methylsulfonyl)aMino]-,MonoMethyl ester
CAS Number:
695215-94-2
MDL Number:
MFCD09954475
IUPAC Name:
3-methoxycarbonyl-5-[methyl(methylsulfonyl)amino]benzoic acid
InChI:
InChI=1S/C11H13NO6S/c1-12(19(3,16)17)9-5-7(10(13)14)4-8(6-9)11(15)18-2/h4-6H,1-3H3,(H,13,14)
InChI Key:
FLJKJNQTDSNBLQ-UHFFFAOYSA-N
Properties
Complexity:
454  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.046g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
287.286g/mol
Monoisotopic Mass:
287.046g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties