1H-Tetrazole-5-acetic acid, ethyl ester


Chemical Name: 1H-Tetrazole-5-acetic acid, ethyl ester
CAS Number: 13616-37-0
Product Number: AG003Q1E(AGN-PC-0O19FX)
Synonyms:
MDL No:
Molecular Formula: C5H8N4O2
Molecular Weight: 156.1426

Identification/Properties


Properties
MP:
123-127 °C(lit.)
BP:
312.3°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
156.145g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
156.065g/mol
Monoisotopic Mass:
156.065g/mol
Topological Polar Surface Area:
80.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
140
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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