methyl 5-methylsulfonylpyridine-3-carboxylate


Chemical Name: methyl 5-methylsulfonylpyridine-3-carboxylate
CAS Number: 1186663-66-0
Product Number: AG003RWS(AGN-PC-04366B)
Synonyms:
MDL No: MFCD12828715
Molecular Formula: C8H9NO4S
Molecular Weight: 215.2264

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
215.223g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
215.025g/mol
Monoisotopic Mass:
215.025g/mol
Topological Polar Surface Area:
81.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
306
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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