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Chemical structure of Methyl acetylacetate-d3

GC77136

Methyl acetylacetate-d3

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

Methyl acetylacetate-d3 (Acetoacetate methyl ester-d3) is a deuterium labeled Methyl acetylacetate

ChemicalCAS65491-21-6MW119.13FormulaC5H5D3O3
CAS number
65491-21-6
Molecular weight
119.13
Formula
C5H5D3O3
InChIKey
WRQNANDWMGAFTP-FIBGUPNXSA-N
Catalogue number
GC77136
Brand
GLPBIO
Computed properties PubChem CID 12208343 · XLogP 0 · TPSA 43.4 Ų · H-bond donors 0
XLogP
0
TPSA
43.4 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
8

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

Computed descriptors from PubChem (CID 12208343), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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