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Chemical structure of Octanal-d16

GC76397

Octanal-d16

Also known as 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecadeuteriooctan-1-one

Octanal-d16 is the deuterium labeled Octanal

ChemicalCAS1219794-66-7MW144.31FormulaC8D16O
CAS number
1219794-66-7
Molecular weight
144.31
Formula
C8D16O
InChIKey
NUJGJRNETVAIRJ-ZEFOBESCSA-N
Catalogue number
GC76397
Brand
GLPBIO
Computed properties PubChem CID 71751283 · XLogP 2.7 · TPSA 17.1 Ų · H-bond donors 0
XLogP
2.7
TPSA
17.1 Ų
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
9

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

Computed descriptors from PubChem (CID 71751283), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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