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898757-85-2

898757-85-2 structural image
Product Name: ETHYL 8-OXO-8-(4-PENTYLOXYPHENYL)OCTANOATE
Formula: C21H32O4
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COMPUTED DESCRIPTORS

Molecular Weight 348.5 g/mol
XLogP3 5.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 15
Exact Mass 348.23005950 g/mol
Monoisotopic Mass 348.23005950 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 359
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