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Chemical structure of N-Dodecylbenzene-d30

GC72744

N-Dodecylbenzene-d30

Also known as 1,2,3,4,5-pentadeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecyl)benzene

N-Dodecylbenzene-d30 is the deuterium labeled N-Dodecylbenzene

ChemicalCAS352431-29-9MW276.62FormulaC18D30
CAS number
352431-29-9
Molecular weight
276.62
Formula
C18D30
InChIKey
KWKXNDCHNDYVRT-NPTDWAEGSA-N
Catalogue number
GC72744
Brand
GLPBIO
Computed properties PubChem CID 90472185 · XLogP 8.8 · TPSA 0 Ų · H-bond donors 0
XLogP
8.8
TPSA
0 Ų
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
11
Heavy atoms
18

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])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])[2H])[2H]

Computed descriptors from PubChem (CID 90472185), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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