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Dibenzo[B, K]fluoranthene

CAT: 0926-AAA20597-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-AAA20597-01Size:1 mg
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CAS Number
205-97-0
Smiles
C1=CC=C2C=C3C (=CC2=C1) C4=CC=CC5=C4C3=CC6=CC=CC=C56
Molecular Formula
C24H14
Molecular Weight
302.4 g/mol
Controlled
No

Chemical Information

Dibenzo(b,k)fluoranthene
CAS Number205-97-0
PubChem CID43254
IUPAC Namehexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene
Molecular FormulaC24H14
Molecular Weight302.4
XLogP7.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity480
SMILES
C1=CC=C2C=C3C(=CC2=C1)C4=CC=CC5=C4C3=CC6=CC=CC=C56
InChI
InChI=1S/C24H14/c1-2-7-16-13-22-21(12-15(16)6-1)20-11-5-10-19-18-9-4-3-8-17(18)14-23(22)24(19)20/h1-14H
InChIKey
JKKWIMTZWPKTTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibenzo(b,k)fluoranthene
CAS: 205-97-0
CID: 43254
Formula: C24H14
MW: 302.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.4
XLogP37.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass302.109550447
Monoisotopic Mass302.109550447
Topological Polar Surface Area0 Ų
Heavy Atom Count24
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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