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1201326-81-9 | 2-Pyridinecarboxylic acid, 5-(methylsulfonyl)-, methyl ester
CAS No: 1201326-81-9 Catalog No: AG000QDE MDL No:MFCD16495880
Product Description
Catalog Number:
AG000QDE
Chemical Name:
2-Pyridinecarboxylic acid, 5-(methylsulfonyl)-, methyl ester
CAS Number:
1201326-81-9
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
MDL Number:
MFCD16495880
IUPAC Name:
methyl 5-methylsulfonylpyridine-2-carboxylate
InChI:
InChI=1S/C8H9NO4S/c1-13-8(10)7-4-3-6(5-9-7)14(2,11)12/h3-5H,1-2H3
InChI Key:
OANIRYJPNCZNHW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cn1)S(=O)(=O)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.223g/mol
Monoisotopic Mass:
215.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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