1H-1,2,4-Triazole, 1-ethenyl-


Chemical Name: 1H-1,2,4-Triazole, 1-ethenyl-
CAS Number: 2764-83-2
Product Number: AG00C3VT(AGN-PC-0JSZAG)
Synonyms:
MDL No:
Molecular Formula: C4H5N3
Molecular Weight: 95.1026

Identification/Properties


Computed Properties
Molecular Weight:
95.105g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
95.048g/mol
Monoisotopic Mass:
95.048g/mol
Topological Polar Surface Area:
30.7A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
71.3
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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