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36299-64-6

36299-64-6 structural image
Product Name: 4-TRANS-PHENYLCYCLOHEXANE-CIS-DICARBOXYLIC ACID, 97
Formula: C14H16O4
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COMPUTED DESCRIPTORS

Molecular Weight 248.27 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 248.10485899 g/mol
Monoisotopic Mass 248.10485899 g/mol
Topological Polar Surface Area 74.6 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 320
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes