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1256633-19-8 | 2-Pyridinecarboxylic acid, 3-(methylsulfonyl)-, ethyl ester
CAS No: 1256633-19-8 Catalog No: AG000OAA MDL No:MFCD18071045
Product Description
Catalog Number:
AG000OAA
Chemical Name:
2-Pyridinecarboxylic acid, 3-(methylsulfonyl)-, ethyl ester
CAS Number:
1256633-19-8
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD18071045
IUPAC Name:
ethyl 3-methylsulfonylpyridine-2-carboxylate
InChI:
InChI=1S/C9H11NO4S/c1-3-14-9(11)8-7(15(2,12)13)5-4-6-10-8/h4-6H,3H2,1-2H3
InChI Key:
GJBWSTRRDZCDKZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncccc1S(=O)(=O)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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