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


Chemical Name: 5-Isoxazolecarboxylic acid, 3-phenyl-, ethyl ester
CAS Number: 13599-24-1
Product Number: AG009XCE(AGN-PC-0L74H8)
Synonyms:
MDL No:
Molecular Formula: C12H11NO3
Molecular Weight: 217.2206

Identification/Properties


Computed Properties
Molecular Weight:
217.224g/mol
XLogP3:
2.6
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

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NMR Spectrum


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