3-Isoxazolecarboxylic acid, 5-phenyl-, methyl ester


Chemical Name: 3-Isoxazolecarboxylic acid, 5-phenyl-, methyl ester
CAS Number: 51677-09-9
Product Number: AG003RY6(AGN-PC-0JXW4T)
Synonyms:
MDL No: MFCD02159553
Molecular Formula: C11H9NO3
Molecular Weight: 203.1941

Identification/Properties


Properties
MP:
81°C
BP:
370.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
203.197g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
203.058g/mol
Monoisotopic Mass:
203.058g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
226
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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