1,3,4-Oxadiazole-2-carboxylic acid, 5-phenyl-, ethyl ester


Chemical Name: 1,3,4-Oxadiazole-2-carboxylic acid, 5-phenyl-, ethyl ester
CAS Number: 16691-25-1
Product Number: AG001X0T(AGN-PC-0JUDSA)
Synonyms:
MDL No:
Molecular Formula: C11H10N2O3
Molecular Weight: 218.2087

Identification/Properties


Computed Properties
Molecular Weight:
218.212g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
218.069g/mol
Monoisotopic Mass:
218.069g/mol
Topological Polar Surface Area:
65.2A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
241
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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