1,2,4-Triazol-3-one


Chemical Name: 1,2,4-Triazol-3-one
CAS Number: 42131-33-9
Product Number: AG00BXDN(AGN-PC-0WAKLM)
Synonyms:
MDL No:
Molecular Formula: C2HN3O
Molecular Weight: 83.0488

Identification/Properties


Computed Properties
Molecular Weight:
83.05g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
83.012g/mol
Monoisotopic Mass:
83.012g/mol
Topological Polar Surface Area:
54.2A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
125
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


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