Isoxazole, 3,5-dimethyl-


Chemical Name: Isoxazole, 3,5-dimethyl-
CAS Number: 300-87-8
Product Number: AG003IOZ(AGN-PC-0JK8ZF)
Synonyms:
MDL No:
Molecular Formula: C5H7NO
Molecular Weight: 97.1152

Identification/Properties


Properties
MP:
-14℃
BP:
144.1°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.442(lit.)
Solubility:
50.9g/l
Computed Properties
Molecular Weight:
97.117g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
97.053g/mol
Monoisotopic Mass:
97.053g/mol
Topological Polar Surface Area:
26A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
65.1
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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