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56929-54-5

56929-54-5 structural image
Product Name: (4-ALLYL-5-BENZYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID
Formula: C14H15N3O2S
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COMPUTED DESCRIPTORS

Molecular Weight 289.35 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 289.08849790 g/mol
Monoisotopic Mass 289.08849790 g/mol
Topological Polar Surface Area 93.3 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 334
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