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79669-90-2

79669-90-2 structural image
Product Name: 11-HYDROXY-6,11-DIHYDRO-DIBENZO[B,E]OXEPINE-2-CARBOXYLIC ACID METHYL ESTER
Formula: C16H14O4
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COMPUTED DESCRIPTORS

Molecular Weight 270.28 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 270.08920892 g/mol
Monoisotopic Mass 270.08920892 g/mol
Topological Polar Surface Area 55.8 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 356
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