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5503-74-2

5503-74-2 structural image
Product Name: 3-BORONO-2-THIOPHENECARBOXYLIC ACID
Formula: C5H5BO4S
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COMPUTED DESCRIPTORS

Molecular Weight 171.97 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 172.0001600 g/mol
Monoisotopic Mass 172.0001600 g/mol
Topological Polar Surface Area 106 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 163
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