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146139-03-9

146139-03-9 structural image
Product Name: 3H-4,7a-Methanocyclohept[3,3a]indeno[5,4-b]oxete Benzenepropanoic Acid Derivative
Formula: C47H51NO14
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COMPUTED DESCRIPTORS

Molecular Weight 853.9 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 14
Exact Mass 853.33095530 g/mol
Monoisotopic Mass 853.33095530 g/mol
Topological Polar Surface Area 221 Ų
Heavy Atom Count 62
Formal Charge 0
Complexity 1820
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 13
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes