Home Sulfos 3-methanesulfonamido-4,5-dimethoxybenzoic acid

3-methanesulfonamido-4,5-dimethoxybenzoic acid

CAS No.:
1354949-93-1
Catalog Number:
AG01AKUD
Molecular Formula:
C10H13NO6S
Molecular Weight:
275.2783
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Product Description
Catalog Number:
AG01AKUD
Chemical Name:
3-methanesulfonamido-4,5-dimethoxybenzoic acid
CAS Number:
1354949-93-1
Molecular Formula:
C10H13NO6S
Molecular Weight:
275.2783
MDL Number:
MFCD20501915
IUPAC Name:
3-(methanesulfonamido)-4,5-dimethoxybenzoic acid
InChI:
InChI=1S/C10H13NO6S/c1-16-8-5-6(10(12)13)4-7(9(8)17-2)11-18(3,14)15/h4-5,11H,1-3H3,(H,12,13)
InChI Key:
KYWRGYORRNKLFJ-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1NS(=O)(=O)C)C(=O)O
Properties
Complexity:
390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.046g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
275.275g/mol
Monoisotopic Mass:
275.046g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties