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Chemical structure of 4-Nonylphenol-d5

GC68553

4-Nonylphenol-d5

Also known as 1,2,4,5-tetradeuterio-3-deuteriooxy-6-nonylbenzene

4-Nonylphenol-d5 is the deuterated form of 4-nonylphenol· 4-nonylphenol is the main degradation product of nonylphenol ethoxylates (NPEOs), a persistent organic pollutant with endocrine disrupting properties and estrogenic activity

ChemicalCAS358730-95-7MW225.38FormulaC15H19D5O
CAS number
358730-95-7
Molecular weight
225.38
Formula
C15H19D5O
Solubility
DMSO ： 100 mg/mL (443·70 mM; Need ultrasonic)
InChIKey
IGFHQQFPSIBGKE-VQUAKUOWSA-N
Catalogue number
GC68553
Brand
GLPBIO
Computed properties PubChem CID 90472216 · XLogP 5.9 · TPSA 20.2 Ų · H-bond donors 1
XLogP
5.9
TPSA
20.2 Ų
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
8
Heavy atoms
16

SMILES [2H]C1=C(C(=C(C(=C1CCCCCCCCC)[2H])[2H])O[2H])[2H]

Computed descriptors from PubChem (CID 90472216), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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