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50565-24-7

50565-24-7 structural image
Product Name: 5-methyldihydrothiophen-3(2H)-one
Formula: C5H8OS
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1015 982 999 1011 1006 1006 978

COMPUTED DESCRIPTORS

Molecular Weight 116.18 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 116.02958605 g/mol
Monoisotopic Mass 116.02958605 g/mol
Topological Polar Surface Area 42.4 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 90.1
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