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845781-54-6

845781-54-6 structural image
Product Name: 5-[(3,4-ETHYLENEDIOXY)PHENYL]-5-OXOVALERIC ACID
Formula: C13H14O5
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COMPUTED DESCRIPTORS

Molecular Weight 250.25 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 250.08412354 g/mol
Monoisotopic Mass 250.08412354 g/mol
Topological Polar Surface Area 72.8 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 315
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