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72886-42-1

72886-42-1 structural image
Product Name: Methyl 3-Mercaptobenzoate
Formula: C8H8O2S
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COMPUTED DESCRIPTORS

Molecular Weight 168.21 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 168.02450067 g/mol
Monoisotopic Mass 168.02450067 g/mol
Topological Polar Surface Area 27.3 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 147
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