Home Sulfos 2-methanesulfonyl-5-methylpyrimidine-4-carboxylic acid

2-methanesulfonyl-5-methylpyrimidine-4-carboxylic acid

CAS No.:
1803585-17-2
Catalog Number:
AG01BA0F
Molecular Formula:
C7H8N2O4S
Molecular Weight:
216.2144
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BA0F
Chemical Name:
2-methanesulfonyl-5-methylpyrimidine-4-carboxylic acid
CAS Number:
1803585-17-2
Molecular Formula:
C7H8N2O4S
Molecular Weight:
216.2144
MDL Number:
MFCD28397462
IUPAC Name:
5-methyl-2-methylsulfonylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C7H8N2O4S/c1-4-3-8-7(14(2,12)13)9-5(4)6(10)11/h3H,1-2H3,(H,10,11)
InChI Key:
XJSQOKKJWHQFSK-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(ncc1C)S(=O)(=O)C
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.02g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.211g/mol
Monoisotopic Mass:
216.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties