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


Chemical Name: 1,2,4-Oxadiazole-3-carboxylic acid, ethyl ester
CAS Number: 39512-59-9
Product Number: AG003Q08(AGN-PC-0KKOAO)
Synonyms:
MDL No: MFCD06245497
Molecular Formula: C5H6N2O3
Molecular Weight: 142.1127

Identification/Properties


Properties
BP:
168-171°C at 1 mmHg
Storage:
Keep in dry area;-10 ℃;
Computed Properties
Molecular Weight:
142.114g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
142.038g/mol
Monoisotopic Mass:
142.038g/mol
Topological Polar Surface Area:
65.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
128
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-H315-H319-H335
Precautionary Statements:
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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