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54713-44-9

54713-44-9 structural image
Product Name: [1,1'-Biphenyl]-4-carboxylic acid, 4-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]hexahydro-2-oxo-2H-cyclop enta[b]furan-5-yl ester, [3aR-[3aa,4a(1E,3R*),5b,6aa]]
Formula: C30H27ClO6
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COMPUTED DESCRIPTORS

Molecular Weight 519.0 g/mol
XLogP3 5.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 9
Exact Mass 518.1496163 g/mol
Monoisotopic Mass 518.1496163 g/mol
Topological Polar Surface Area 82.1 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 802
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes