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41764-07-2

41764-07-2 structural image
Product Name: 4-[3,4-(METHYLENEDIOXY)PHENYL]-4-OXOBUTYRIC ACID
Formula: C11H10O5
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COMPUTED DESCRIPTORS

Molecular Weight 222.19 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 222.05282342 g/mol
Monoisotopic Mass 222.05282342 g/mol
Topological Polar Surface Area 72.8 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 288
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