1H-1,2,4-Triazole-1-methanol


Chemical Name: 1H-1,2,4-Triazole-1-methanol
CAS Number: 74205-82-6
Product Number: AG008QSP(AGN-PC-0K6NEN)
Synonyms:
MDL No:
Molecular Formula: C3H5N3O
Molecular Weight: 99.0913

Identification/Properties


Computed Properties
Molecular Weight:
99.093g/mol
XLogP3:
-0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
99.043g/mol
Monoisotopic Mass:
99.043g/mol
Topological Polar Surface Area:
50.9A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
58.1
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

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NMR Spectrum


Other Analytical Data


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