3-Thiopheneacetic acid


Chemical Name: 3-Thiopheneacetic acid
CAS Number: 6964-21-2
Product Number: AG003F52(AGN-PC-0JKH1H)
Synonyms:
MDL No:
Molecular Formula: C6H6O2S
Molecular Weight: 142.1756

Identification/Properties


Properties
MP:
73-76 °C(lit.)
BP:
274.3°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5300 (estimate)
Computed Properties
Molecular Weight:
142.172g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
142.009g/mol
Monoisotopic Mass:
142.009g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
114
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


NMR Spectrum


Other Analytical Data


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