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1073372-19-6

1073372-19-6 | Ethyl 4-hydroxy-2-(methylsulfonyl)pyrimidine-5-carboxylate

CAS No: 1073372-19-6 Catalog No: AG003QAQ MDL No:MFCD11504987

Product Description

Catalog Number:
AG003QAQ
Chemical Name:
Ethyl 4-hydroxy-2-(methylsulfonyl)pyrimidine-5-carboxylate
CAS Number:
1073372-19-6
Molecular Formula:
C8H10N2O5S
Molecular Weight:
246.2404
MDL Number:
MFCD11504987
IUPAC Name:
ethyl 2-methylsulfonyl-6-oxo-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C8H10N2O5S/c1-3-15-7(12)5-4-9-8(10-6(5)11)16(2,13)14/h4H,3H2,1-2H3,(H,9,10,11)
InChI Key:
MKDNSIFBNVKQDA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1O)S(=O)(=O)C

Properties

Complexity:
483  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.031g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.237g/mol
Monoisotopic Mass:
246.031g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  

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