4-Isoxazolecarboxaldehyde, 3,5-dimethyl-


Chemical Name: 4-Isoxazolecarboxaldehyde, 3,5-dimethyl-
CAS Number: 54593-26-9
Product Number: AG003IOL(AGN-PC-03FU0B)
Synonyms:
MDL No: MFCD02681977
Molecular Formula: C6H7NO2
Molecular Weight: 125.1253

Identification/Properties


Properties
MP:
54-56°C
BP:
54-56
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
125.127g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
125.048g/mol
Monoisotopic Mass:
125.048g/mol
Topological Polar Surface Area:
43.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
116
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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