4-Isoxazolecarboxylic acid


Chemical Name: 4-Isoxazolecarboxylic acid
CAS Number: 6436-62-0
Product Number: AG00E9ZZ(AGN-PC-0KNV4B)
Synonyms:
MDL No:
Molecular Formula: C4H3NO3
Molecular Weight: 113.0715

Identification/Properties


Properties
MP:
121 - 123 °C
BP:
321.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
113.072g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
113.011g/mol
Monoisotopic Mass:
113.011g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
104
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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