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356782-33-7

356782-33-7 structural image
Product Name: 6-CARBOXYL-4-PHENYL-3,4-DIHYDROCOUMARIN
Formula: C16H12O4
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COMPUTED DESCRIPTORS

Molecular Weight 268.26 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 268.07355886 g/mol
Monoisotopic Mass 268.07355886 g/mol
Topological Polar Surface Area 63.6 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 386
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