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313270-81-4

313270-81-4 structural image
Product Name: DIETHYL 2-(4-ETHOXYPHENYL)-4-HYDROXY-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE
Formula: C21H28O7
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COMPUTED DESCRIPTORS

Molecular Weight 392.4 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 9
Exact Mass 392.18350323 g/mol
Monoisotopic Mass 392.18350323 g/mol
Topological Polar Surface Area 99.1 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 567
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 4
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes