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Chemical structure of Octylbenzene-d22

GC72623

Octylbenzene-d22

Also known as 1,2,3,4,5-pentadeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecadeuteriooctyl)benzene

Octylbenzene-d22 is the deuterium labeled Octylbenzene

ChemicalCAS1219799-28-6MW212.46FormulaC14D22
CAS number
1219799-28-6
Molecular weight
212.46
Formula
C14D22
InChIKey
CDKDZKXSXLNROY-FEGNEZOYSA-N
Catalogue number
GC72623
Brand
GLPBIO
Computed properties PubChem CID 162343588 · XLogP 6.6 · TPSA 0 Ų · H-bond donors 0
XLogP
6.6
TPSA
0 Ų
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
7
Heavy atoms
14

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])[2H])[2H]

Computed descriptors from PubChem (CID 162343588), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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