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4695-31-2

4695-31-2 structural image
Product Name: 2-MERCAPTOISOBUTYRIC ACID
Formula: C4H8O2S
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COMPUTED DESCRIPTORS

Molecular Weight 120.17 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 120.02450067 g/mol
Monoisotopic Mass 120.02450067 g/mol
Topological Polar Surface Area 38.3 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 87.7
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