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Chemical structure of Tributyl O-Acetylcitrate-d3

GC72523

Tributyl O-Acetylcitrate-d3

Also listed as Tributyl 2-acetoxypropane-1,2,3-tricarboxylate-d3

Tributyl 2-acetoxypropane-1,2,3-tricarboxylate-d3 is the deuterium labeled Tributyl 2-acetoxypropane-1,2,3-tricarboxylate

ChemicalCAS1794753-49-3MW405.5FormulaC20H31D3O8
CAS number
1794753-49-3
Molecular weight
405.5
Formula
C20H31D3O8
InChIKey
QZCLKYGREBVARF-GKOSEXJESA-N
Catalogue number
GC72523
Brand
GLPBIO
Computed properties PubChem CID 71752690 · XLogP 3.3 · TPSA 105 Ų · H-bond donors 0
XLogP
3.3
TPSA
105 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
19
Heavy atoms
28

SMILES [2H]C([2H])([2H])C(=O)OC(CC(=O)OCCCC)(CC(=O)OCCCC)C(=O)OCCCC

Computed descriptors from PubChem (CID 71752690), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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