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Chemical structure of Benzyl benzoate-d12

GC71677

Benzyl benzoate-d12

Also known as [dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methyl] 2,3,4,5,6-pentadeuteriobenzoate

Benzyl benzoate-d12 is the deuterium labeled Benzyl benzoate

ChemicalCAS352431-26-6MW224.32FormulaC14D12O2
CAS number
352431-26-6
Molecular weight
224.32
Formula
C14D12O2
Solubility
DMSO ： 100 mg/mL (445·79 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
SESFRYSPDFLNCH-USINEXLCSA-N
Catalogue number
GC71677
Brand
GLPBIO
Computed properties PubChem CID 102602363 · XLogP 4 · TPSA 26.3 Ų · H-bond donors 0
XLogP
4
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
16

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)OC([2H])([2H])C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H]

Computed descriptors from PubChem (CID 102602363), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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