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6998-83-0

6998-83-0 structural image
Product Name: Trimethyl cis,cis-1,3,5-cyclohexanetricarboxylate
Formula: C12H18O6
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1791

COMPUTED DESCRIPTORS

Molecular Weight 258.27 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 258.11033829 g/mol
Monoisotopic Mass 258.11033829 g/mol
Topological Polar Surface Area 78.9 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 273
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes