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1780608-62-9

1780608-62-9 | 4-Pyrimidinecarboxylic acid, 5-amino-2-(methylsulfonyl)-, methyl ester

CAS No: 1780608-62-9 Catalog No: AG0025Q5 MDL No:MFCD13195387

Product Description

Catalog Number:
AG0025Q5
Chemical Name:
4-Pyrimidinecarboxylic acid, 5-amino-2-(methylsulfonyl)-, methyl ester
CAS Number:
1780608-62-9
Molecular Formula:
C7H9N3O4S
Molecular Weight:
231.2291
MDL Number:
MFCD13195387
IUPAC Name:
methyl 5-amino-2-methylsulfonylpyrimidine-4-carboxylate
InChI:
InChI=1S/C7H9N3O4S/c1-14-6(11)5-4(8)3-9-7(10-5)15(2,12)13/h3H,8H2,1-2H3
InChI Key:
XUFQXLGYWAUCFI-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(ncc1N)S(=O)(=O)C

Properties

Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.031g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.226g/mol
Monoisotopic Mass:
231.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

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