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3331-46-2

3331-46-2 structural image
Product Name: 9,10-DIHYDROBENZO[A]PYREN-7(8H)-ONE
Formula: C20H14O
Synonyms: 7-Oxo-7,8,9,10-tetrahydrobenzo[a ]pyrene
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COMPUTED DESCRIPTORS

Molecular Weight 270.3 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 270.104465066 g/mol
Monoisotopic Mass 270.104465066 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 441
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes