2-nonylphenol

Synonyms: 2-nonylphenol, "o-nonylphenol", "2-n-nonyl-phenol", "ortho-n-nonyl-phenol".

Source: 2-nonylphenol is a metabolite of of nonylphenol ethoxylate.

Identifiers:

IUPAC Name: 2-nonylphenol
CAS Number: 84852-15-3
PubChem ID: 67296
InChiKey: SNQQPOLDUKLAAF-UHFFFAOYSA-N
Canonical SMILES: CCCCCCCCCC1=CC=CC=C1O

Structural Properties:

Molecular Formula: C₁₅H₂₄O
Molecular Weight: 220.36

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 16

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Evidence Supporting This Chemical as an Emerging Contaminant

Montes-Grajales, D., Fennix-Agudelo, M., & Miranda-Castro, W. (2017). Occurrence of personal care products as emerging chemicals of concern in water resources: A review. Science of the Total Environment, 595, 601-614.

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