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155378-75-9

155378-75-9 structural image
Product Name: 4-MERCAPTOCINNAMIC ACID
Formula: C9H8O2S
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COMPUTED DESCRIPTORS

Molecular Weight 180.23 g/mol
XLogP3 2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 180.02450067 g/mol
Monoisotopic Mass 180.02450067 g/mol
Topological Polar Surface Area 38.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 181
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes