Chrysene

Synonyms: Benzo[a]phenanthrene, "1,2-Benzophenanthrene", "1,2-Benzphenanthrene", "1,2,5,6-Dibenzonaphthalene", "Benz[a]phenanthrene", "Benz(a)phenanthrene", "Benzo(a)phenanthrene", "Chrysen"

Source: Chrysene is a high molecular weight polycyclic aromatic hydrocarbon, produced during incomplete combustion of organic materials.

Identifiers:

IUPAC Name: chrysene
CAS Number: 218-01-9
PubChem ID: 9171
InChiKey: WDECIBYCCFPHNR-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43

Structural Properties:

Molecular Formula: C₁₈H₁₂
Molecular Weight: 228,300

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 18

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Evidence Supporting This Chemical as an Emerging Contaminant

Blum, K. M., Andersson, P. L., Ahrens, L., Wiberg, K., & Haglund, P. (2018). Persistence, mobility and bioavailability of emerging organic contaminants discharged from sewage treatment plants. Science of the Total Environment, 612, 1532-1542.

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2D-structure

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