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685108-46-7

685108-46-7 structural image
Product Name: DIMETHYL 2-[3-(4-METHYLPHENYL)-3-OXO-1-(3,4,5-TRIMETHOXYPHENYL)PROPYL]MALONATE
Formula: C24H28O8
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COMPUTED DESCRIPTORS

Molecular Weight 444.5 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 12
Exact Mass 444.17841785 g/mol
Monoisotopic Mass 444.17841785 g/mol
Topological Polar Surface Area 97.4 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 598
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes