3-Isoxazolecarboxylicacid, 5-(2-thienyl)-


Chemical Name: 3-Isoxazolecarboxylicacid, 5-(2-thienyl)-
CAS Number: 763109-71-3
Product Number: AG003M48(AGN-PC-0KPXS2)
Synonyms:
MDL No: MFCD04113955
Molecular Formula: C8H5NO3S
Molecular Weight: 195.1952

Identification/Properties


Properties
MP:
168 °C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
195.192g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
194.999g/mol
Monoisotopic Mass:
194.999g/mol
Topological Polar Surface Area:
91.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
212
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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