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212757-11-4

212757-11-4 structural image
Product Name: TRANS-2-(2-THIOPHENECARBONYL)-1-CYCLOHEXANECARBOXYLIC ACID, 99
Formula: C12H14O3S
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COMPUTED DESCRIPTORS

Molecular Weight 238.30 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 238.06636548 g/mol
Monoisotopic Mass 238.06636548 g/mol
Topological Polar Surface Area 82.6 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 290
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes