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93368-53-7

93368-53-7 structural image
Product Name: 9,10-Ethanoanthracene-11,12-dicarboxylicacid, 9,10-dihydro-, diethyl ester, (11R,12R)-rel- (9CI)
Formula: C22H22O4
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COMPUTED DESCRIPTORS

Molecular Weight 350.4 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 350.15180918 g/mol
Monoisotopic Mass 350.15180918 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 472
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes