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110167-66-3

110167-66-3 structural image
Product Name: (3-FURAN-2-YL-5-THIOXO-1,5-DIHYDRO-[1,2,4]TRIAZOL-4-YL)-ACETIC ACID
Formula: C8H7N3O3S
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COMPUTED DESCRIPTORS

Molecular Weight 225.23 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 225.02081227 g/mol
Monoisotopic Mass 225.02081227 g/mol
Topological Polar Surface Area 110 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 331
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