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241127-10-6

241127-10-6 structural image
Product Name: 1-[5-(1-PHENOXYETHYL)-1H-PYRAZOL-1-YL]-1-ETHANONE
Formula: C13H14N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 230.26 g/mol
XLogP3 2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 230.105527694 g/mol
Monoisotopic Mass 230.105527694 g/mol
Topological Polar Surface Area 44.1 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 264
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes