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80866-86-0

80866-86-0 structural image
Product Name: 4-[4-(2-CARBOXYBENZOYL)PHENYL]BUTYRIC ACID
Formula: C18H16O5
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COMPUTED DESCRIPTORS

Molecular Weight 312.3 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 312.09977361 g/mol
Monoisotopic Mass 312.09977361 g/mol
Topological Polar Surface Area 91.7 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 437
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