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113772-16-0

113772-16-0 structural image
Product Name: 2,5-DIHYDROTHIOPHENE-3-CARBALDEHYDE
Formula: C5H6OS
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COMPUTED DESCRIPTORS

Molecular Weight 114.17 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 114.01393598 g/mol
Monoisotopic Mass 114.01393598 g/mol
Topological Polar Surface Area 42.4 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 107
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