1H-1,2,4-Triazole-3-carboxylic acid


Chemical Name: 1H-1,2,4-Triazole-3-carboxylic acid
CAS Number: 4928-87-4
Product Number: AG0035YS(AGN-PC-0OAYCE)
Synonyms:
MDL No:
Molecular Formula: C3H3N3O2
Molecular Weight: 113.0748

Identification/Properties


Properties
MP:
132-136 °C
BP:
444.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
113.076g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
113.023g/mol
Monoisotopic Mass:
113.023g/mol
Topological Polar Surface Area:
78.9A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
105
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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