5-Isoxazolecarboxaldehyde


Chemical Name: 5-Isoxazolecarboxaldehyde
CAS Number: 16401-14-2
Product Number: AG00ABF8(AGN-PC-03G2QQ)
Synonyms:
MDL No:
Molecular Formula: C4H3NO2
Molecular Weight: 97.0721

Identification/Properties


Properties
BP:
211.9°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Computed Properties
Molecular Weight:
97.073g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
97.016g/mol
Monoisotopic Mass:
97.016g/mol
Topological Polar Surface Area:
43.1A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
74.1
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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