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245652-82-8

245652-82-8 structural image
Product Name: BIS(TRANS-3,3,5-TRIMETHYLCYCLOHEXYL) PHTHALATE
Formula: C26H38O4
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COMPUTED DESCRIPTORS

Molecular Weight 414.6 g/mol
XLogP3 7.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 414.27700969 g/mol
Monoisotopic Mass 414.27700969 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 569
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes