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Chemical structure of Docosanoic-12,12,13,13-d4 Acid

GC72541

Docosanoic-12,12,13,13-d4 Acid

Also listed as Docosanoic acid (12,12,13,13-d4)

Docosanoic acid (12,12,13,13-d4) is the deuterium labeled Docosanoic acid

ChemicalCAS1219804-98-4MW344.61FormulaC22H40D4O2
CAS number
1219804-98-4
Molecular weight
344.61
Formula
C22H40D4O2
InChIKey
UKMSUNONTOPOIO-MKQHWYKPSA-N
Catalogue number
GC72541
Brand
GLPBIO
Computed properties PubChem CID 131869398 · XLogP 9.6 · TPSA 37.3 Ų · H-bond donors 1
XLogP
9.6
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
20
Heavy atoms
24

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

Computed descriptors from PubChem (CID 131869398), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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