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898791-91-8

898791-91-8 structural image
Product Name: 7-OXO-7-(4-ISOPROPOXYPHENYL)HEPTANOIC ACID
Formula: C16H22O4
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COMPUTED DESCRIPTORS

Molecular Weight 278.34 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 9
Exact Mass 278.15180918 g/mol
Monoisotopic Mass 278.15180918 g/mol
Topological Polar Surface Area 63.6 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 304
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