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20461-89-6

20461-89-6 structural image
Product Name: 1,3-DITHIANE-2-CARBOXYLIC ACID
Formula: C5H8O2S2
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COMPUTED DESCRIPTORS

Molecular Weight 164.3 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 163.99657184 g/mol
Monoisotopic Mass 163.99657184 g/mol
Topological Polar Surface Area 87.9 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 110
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