Home Sulfos 3-(Methylsulfonyl) picolinic acid

3-(Methylsulfonyl) picolinic acid

CAS No.:
61830-06-6
Catalog Number:
AG00EL8M
Molecular Formula:
C7H7NO4S
Molecular Weight:
201.1998
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Product Description
Catalog Number:
AG00EL8M
Chemical Name:
3-(Methylsulfonyl) picolinic acid
CAS Number:
61830-06-6
Molecular Formula:
C7H7NO4S
Molecular Weight:
201.1998
MDL Number:
MFCD22628311
IUPAC Name:
3-methylsulfonylpyridine-2-carboxylic acid
InChI:
InChI=1S/C7H7NO4S/c1-13(11,12)5-3-2-4-8-6(5)7(9)10/h2-4H,1H3,(H,9,10)
InChI Key:
PMLMPPPFXKNYQI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncccc1S(=O)(=O)C
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.01g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.196g/mol
Monoisotopic Mass:
201.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties