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2098135-41-0

2098135-41-0 structural image
Product Name: 4-Pentyn-2-ol, 1,1,1-trifluoro-5-(3-thienyl)-
Formula: C9H7F3OS
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COMPUTED DESCRIPTORS

Molecular Weight 220.21 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 220.01697050 g/mol
Monoisotopic Mass 220.01697050 g/mol
Topological Polar Surface Area 48.5 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 250
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