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885281-04-9

885281-04-9 structural image
Product Name: (5-BENZYL-4H-[1,2,4]TRIAZOL-3-YL)-ACETIC ACID
Formula: C11H11N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 217.22 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 217.085126602 g/mol
Monoisotopic Mass 217.085126602 g/mol
Topological Polar Surface Area 78.9 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 241
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