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Chemical structure of Ethyl acetoacetate-d3

GC69086

Ethyl acetoacetate-d3

Also known as ethyl 4,4,4-trideuterio-3-oxobutanoate

Ethyl acetoacetate-d3 is the deuterated derivative of Ethyl acetoacetate· Ethyl acetoacetate (also known as ethyl acetylacetate) is an ester widely used as an intermediate in the synthesis of various compounds· It is also a bacterial biofilm inhibitor

ChemicalCAS1565868-21-4MW133.16FormulaC6H7D3O3
CAS number
1565868-21-4
Molecular weight
133.16
Formula
C6H7D3O3
Solubility
DMSO : ≥ 200 mg/mL (1501·95 mM)
InChIKey
XYIBRDXRRQCHLP-BMSJAHLVSA-N
Catalogue number
GC69086
Brand
GLPBIO
Computed properties PubChem CID 166642537 · XLogP 0.2 · TPSA 43.4 Ų · H-bond donors 0
XLogP
0.2
TPSA
43.4 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
9

SMILES [2H]C([2H])([2H])C(=O)CC(=O)OCC

Computed descriptors from PubChem (CID 166642537), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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