2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester


Chemical Name: 2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester
CAS Number: 2689-69-2
Product Number: AG003RTB(AGN-PC-0JLDGK)
Synonyms:
MDL No:
Molecular Formula: C6H8O3S
Molecular Weight: 160.1909

Identification/Properties


Properties
MP:
38 °C(lit.);
BP:
248.4 °C at 760 mmHg
Storage:
Light sensitive;Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.511(lit.)
Computed Properties
Molecular Weight:
160.187g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
160.019g/mol
Monoisotopic Mass:
160.019g/mol
Topological Polar Surface Area:
68.7A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
166
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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