Indeno[1,2,3-cd]pyrene

Synonyms: Indeno[1,2,3-cd]pyrene, "o-Phenylenepyrene", "2,3-Phenylenepyrene", "1,10-(1,2-Phenylene)pyrene", "1,10-(o-Phenylene)pyrene", "2,3-o-Phenylenepyrene", "RCRA waste number U137", "1,10-(ortho-Phenylene)pyrene", "UNII-T4SWX8I0U2", "Indeno[1,2,3-c,d]pyrene"

Source: Indeno[1,2,3-cd]pyrene is a polycyclic aromatic hydrocarbon, which is a major environmental pollutant. It can be formed via incomplete combustion of organic matter.

Identifiers:

IUPAC Name: hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene
CAS Number: 193-39-5
PubChem ID: 9131
InChiKey: SXQBHARYMNFBPS-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)C3=C4C2=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Structural Properties:

Molecular Formula: C₂₂H₁₂
Molecular Weight: 276,300

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 22

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Evidence Supporting This Chemical as an Emerging Contaminant

Mailler, R., Gasperi, J., Patureau, D., Vulliet, E., Delgenes, N., Danel, A., ... & Chebbo, G. (2017). Fate of emerging and priority micropollutants during the sewage sludge treatment: Case study of Paris conurbation. Part 1: Contamination of the different types of sewage sludge. Waste management, 59, 379-393.

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