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16759-45-8

16759-45-8 structural image
Product Name: 3,4,5-TRIMETHYL-4H-1,2,4-TRIAZOLE
Formula: C5H9N3
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COMPUTED DESCRIPTORS

Molecular Weight 111.15 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 111.079647300 g/mol
Monoisotopic Mass 111.079647300 g/mol
Topological Polar Surface Area 30.7 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 73.7
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