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148550-51-0 | 5-Pyrimidinecarboxylic acid, 2-(methylsulfonyl)-, ethyl ester
CAS No: 148550-51-0 Catalog No: AG001L0N MDL No:MFCD07366751
Product Description
Catalog Number:
AG001L0N
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-(methylsulfonyl)-, ethyl ester
CAS Number:
148550-51-0
Molecular Formula:
C8H10N2O4S
Molecular Weight:
230.2410
MDL Number:
MFCD07366751
IUPAC Name:
ethyl 2-methylsulfonylpyrimidine-5-carboxylate
InChI:
InChI=1S/C8H10N2O4S/c1-3-14-7(11)6-4-9-8(10-5-6)15(2,12)13/h4-5H,3H2,1-2H3
InChI Key:
SHVJIPVRIOSGCA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1)S(=O)(=O)C
NSC Number:
79615
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.238g/mol
Monoisotopic Mass:
230.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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