4-Isoxazolecarboxylic acid, 3,5-dimethyl-


Chemical Name: 4-Isoxazolecarboxylic acid, 3,5-dimethyl-
CAS Number: 2510-36-3
Product Number: AG002QH1(AGN-PC-0JLPHO)
Synonyms:
MDL No:
Molecular Formula: C6H7NO3
Molecular Weight: 141.1247

Identification/Properties


Properties
MP:
141-145 °C(lit.)
BP:
301.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4890 (estimate)
Computed Properties
Molecular Weight:
141.126g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
141.043g/mol
Monoisotopic Mass:
141.043g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
148
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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