Home Sulfos 2-((Methylsulfonyl)methyl)nicotinic acid

2-((Methylsulfonyl)methyl)nicotinic acid

CAS No.:
1691896-14-6
Catalog Number:
AG00HZ9V
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$231
- +
250mg
95%
In Stock USA
United States
$399
- +
1g
95%
In Stock USA
United States
$798
- +
5g
95%
In Stock USA
United States
$2394
- +
Product Description
Catalog Number:
AG00HZ9V
Chemical Name:
2-((Methylsulfonyl)methyl)nicotinic acid
CAS Number:
1691896-14-6
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
MDL Number:
MFCD28991817
IUPAC Name:
2-(methylsulfonylmethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H9NO4S/c1-14(12,13)5-7-6(8(10)11)3-2-4-9-7/h2-4H,5H2,1H3,(H,10,11)
InChI Key:
UBDWYFYRPCJOLI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccnc1CS(=O)(=O)C
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.025g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.223g/mol
Monoisotopic Mass:
215.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties