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Dibenzo (a, i) pyrene

CAT: 0931-T23994-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23994-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
189-55-9
Target
Others, Aryl Hydrocarbon Receptor
Related Pathways
Others, Immunology/Inflammation
Bioactivity
Dibenzo (a, i) pyrene is a polycyclic aromatic hydrocarbon with potent carcinogenic activity.
Smiles
C12=C3C=4C=5C(C=C3C=CC1=CC=6C(C2=CC4)=CC=CC6)=CC=CC5
Molecular Formula
C24H14
Molecular Weight
302.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dibenzo(a,i)pyrene

Dibenzo[a,i]pyrene can cause cancer according to an independent committee of scientific and health experts.

CAS Number189-55-9
PubChem CID9106
IUPAC Namehexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18,20(24),21-dodecaene
Molecular FormulaC24H14
Molecular Weight302.4
XLogP7.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity436
SMILES
C1=CC=C2C3=C4C(=CC2=C1)C=CC5=CC6=CC=CC=C6C(=C54)C=C3
InChI
InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H
InChIKey
TUGYIJVAYAHHHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibenzo(a,i)pyrene
CAS: 189-55-9
CID: 9106
Formula: C24H14
MW: 302.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.4
XLogP37.3
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
Complexity436
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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