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67267-08-7

67267-08-7 structural image
Product Name: Ethyl2,5-dihydro-5-oxo-1-phenyl-1H-1,2,4-triazole-3-carboxylate
Formula: C11H11N3O3
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COMPUTED DESCRIPTORS

Molecular Weight 233.22 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 233.08004122 g/mol
Monoisotopic Mass 233.08004122 g/mol
Topological Polar Surface Area 71 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 348
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