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4439-87-6

4439-87-6 structural image
Product Name: 2-PHENYLLEVULINIC ACID
Formula: C11H12O3
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COMPUTED DESCRIPTORS

Molecular Weight 192.21 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 192.078644241 g/mol
Monoisotopic Mass 192.078644241 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 217
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes