Benzo[a]pyrene-1,6-dione


Chemical Name: Benzo[a]pyrene-1,6-dione
CAS Number: 3067-13-8
Product Number: AG0030SF(AGN-PC-0JKE03)
Synonyms:
MDL No:
Molecular Formula: C20H10O2
Molecular Weight: 282.2922

Identification/Properties


Computed Properties
Molecular Weight:
282.298g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
282.068g/mol
Monoisotopic Mass:
282.068g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
548
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

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NMR Spectrum


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