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108132-90-7

108132-90-7 structural image
Product Name: 2,4-Dihydro-4-ethyl-5-(3,4,5-trimethoxyphenyl)-3H-1,2,4-triazol-3-one
Formula: C13H17N3O4
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COMPUTED DESCRIPTORS

Molecular Weight 279.29 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 279.12190603 g/mol
Monoisotopic Mass 279.12190603 g/mol
Topological Polar Surface Area 72.4 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 374
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