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844856-85-5

844856-85-5 structural image
Product Name: TRANS-2-(4-THIOMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
Formula: C15H18O3S
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COMPUTED DESCRIPTORS

Molecular Weight 278.4 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 278.09766561 g/mol
Monoisotopic Mass 278.09766561 g/mol
Topological Polar Surface Area 79.7 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 334
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