5-Isoxazolecarboxylic acid


Chemical Name: 5-Isoxazolecarboxylic acid
CAS Number: 21169-71-1
Product Number: AG003R5W(AGN-PC-0KBOKH)
Synonyms:
MDL No: MFCD00156151
Molecular Formula: C4H3NO3
Molecular Weight: 113.0715

Identification/Properties


Properties
MP:
144-148 °C(lit.)
BP:
321.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Stability:
Moisture Sensitive
Refractive Index:
1.4543 (estimate)
Computed Properties
Molecular Weight:
113.072g/mol
XLogP3:
0.2
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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