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4046-03-1

4046-03-1 structural image
Product Name: 2-methyl-5-phenyl-1,3,4-oxadiazole
Formula: C9H8N2O
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 10.8 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 160.17 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 160.063662883 g/mol
Monoisotopic Mass 160.063662883 g/mol
Topological Polar Surface Area 38.9 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 146
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