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746656-39-3

746656-39-3 structural image
Product Name: Phenol, 3-(4H-1,2,4-triazol-4-yl)- (9CI)
Formula: C8H7N3O
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COMPUTED DESCRIPTORS

Molecular Weight 161.16 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 161.058911855 g/mol
Monoisotopic Mass 161.058911855 g/mol
Topological Polar Surface Area 50.9 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 147
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