1H-1,2,4-Triazole-1-acetic acid


Chemical Name: 1H-1,2,4-Triazole-1-acetic acid
CAS Number: 28711-29-7
Product Number: AG002W73(AGN-PC-0K9AXG)
Synonyms:
MDL No:
Molecular Formula: C4H5N3O2
Molecular Weight: 127.1014

Identification/Properties


Properties
MP:
>200°C (dec.)
BP:
376.9°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
127.103g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
127.038g/mol
Monoisotopic Mass:
127.038g/mol
Topological Polar Surface Area:
68A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
116
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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