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125294-45-3

125294-45-3 structural image
Product Name: 3-thiophenecarboxylic acid tert-butyl ester
Formula: C9H12O2S
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COMPUTED DESCRIPTORS

Molecular Weight 184.26 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 184.05580079 g/mol
Monoisotopic Mass 184.05580079 g/mol
Topological Polar Surface Area 54.5 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 172
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