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Chemical structure of DEHP-d38

GC71714

DEHP-d38

Also known as bis[1,1,2,3,3,4,4,5,5,6,6,6-dodecadeuterio-2-(1,1,2,2,2-pentadeuterioethyl)hexyl] 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate

DEHP-d38 is the deuterium labeled DEHP

ChemicalCAS352431-42-6MW428.79FormulaC24D38O4
CAS number
352431-42-6
Molecular weight
428.79
Formula
C24D38O4
InChIKey
BJQHLKABXJIVAM-STYFRGAJSA-N
Catalogue number
GC71714
Brand
GLPBIO
Computed properties PubChem CID 90472189 · XLogP 7.4 · TPSA 52.6 Ų · H-bond donors 0
XLogP
7.4
TPSA
52.6 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
16
Heavy atoms
28

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

Computed descriptors from PubChem (CID 90472189), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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