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1370411-46-3 | 4-Pyrimidinecarboxylic acid, 2-(methylsulfonyl)-
CAS No: 1370411-46-3 Catalog No: AG0012QO MDL No:MFCD09834806
Product Description
Catalog Number:
AG0012QO
Chemical Name:
4-Pyrimidinecarboxylic acid, 2-(methylsulfonyl)-
CAS Number:
1370411-46-3
Molecular Formula:
C6H6N2O4S
Molecular Weight:
202.1878
MDL Number:
MFCD09834806
IUPAC Name:
2-methylsulfonylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C6H6N2O4S/c1-13(11,12)6-7-3-2-4(8-6)5(9)10/h2-3H,1H3,(H,9,10)
InChI Key:
WSXZNFILTBDHHA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(n1)S(=O)(=O)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.005g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.184g/mol
Monoisotopic Mass:
202.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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