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933674-61-4

933674-61-4 structural image
Product Name: CIS-2-(4-THIOETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
Formula: C16H20O3S
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COMPUTED DESCRIPTORS

Molecular Weight 290.4 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 290.09766561 g/mol
Monoisotopic Mass 290.09766561 g/mol
Topological Polar Surface Area 86.5 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 372
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