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Dibenzo[def,p]chrysene

CAT: 0572-TRC-D416945-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D416945-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
191-30-0
Synonyms
Dibenzo[def,p]chrysene; 1,2,9,10-Dibenzopyrene; 1,2:3,4-Dibenzopyrene; 2,3:4,5-Dibenzpyrene; 4,5,6,7-Dibenzpyrene; Ba 51-090462; Dibenzo[a,l]pyrene; NSC 90324
Hazard Statement
Suspected of causing genetic defects
Purity
>95% (HPLC)
Smiles
c1ccc2c(c1)cc3ccc4cccc5c6ccccc6c2c3c45
Molecular Formula
C24 H14
Molecular Weight
302.37
InChI
InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Dibenzo(a,l)pyrene

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

CAS Number191-30-0
PubChem CID9119
IUPAC Namehexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene
Molecular FormulaC24H14
Molecular Weight302.4
XLogP7.2
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(=C1)C=C3C=CC4=C5C3=C2C6=CC=CC=C6C5=CC=C4
InChI
InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H
InChIKey
JNTHRSHGARDABO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibenzo(a,l)pyrene
CAS: 191-30-0
CID: 9119
Formula: C24H14
MW: 302.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight302.4
XLogP37.2
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