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


Chemical Name: 3-Isoxazolecarboxylic acid, 5-phenyl-, ethyl ester
CAS Number: 7063-99-2
Product Number: AG003QCX(AGN-PC-0JT2VT)
Synonyms:
MDL No:
Molecular Formula: C12H11NO3
Molecular Weight: 217.2206

Identification/Properties


Properties
MP:
52℃
BP:
379.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
217.224g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
217.074g/mol
Monoisotopic Mass:
217.074g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
238
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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