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Chemical structure of Dihexyl phthalate-3,4,5,6-d4

GC66183

Dihexyl phthalate-3,4,5,6-d4

Also known as dihexyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate

Dihexyl phthalate-3,4,5,6-d4 is the deuterium labeled Dihexyl phthalate-3,4,5,6

ChemicalCAS1015854-55-3MW338.47FormulaC20H26D4O4
CAS number
1015854-55-3
Molecular weight
338.47
Formula
C20H26D4O4
InChIKey
KCXZNSGUUQJJTR-LSQQNFJSSA-N
Catalogue number
GC66183
Brand
GLPBIO
Computed properties PubChem CID 16212230 · XLogP 6.9 · TPSA 52.6 Ų · H-bond donors 0
XLogP
6.9
TPSA
52.6 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
14
Heavy atoms
24

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

Computed descriptors from PubChem (CID 16212230), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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