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33963-58-5

33963-58-5 structural image
Product Name: 4-methylsulfinylbenzoate
Formula: C8H8O3S
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COMPUTED DESCRIPTORS

Molecular Weight 184.21 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 184.01941529 g/mol
Monoisotopic Mass 184.01941529 g/mol
Topological Polar Surface Area 73.6 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 195
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