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Chemical structure of Benzyl alcohol-d5

GC76064

Benzyl alcohol-d5

Also known as (2,3,4,5,6-pentadeuteriophenyl)methanol

Benzyl alcohol-d5 is the deuterium labeled Benzyl alcohol

ChemicalCAS68661-10-9MW113.17FormulaC7H3D5O
CAS number
68661-10-9
Molecular weight
113.17
Formula
C7H3D5O
Solubility
Ethanol: ≥ 100 mg/mL (883·63 mM); H2O: 20 mg/mL (176·73 mM; Need ultrasonic)
InChIKey
WVDDGKGOMKODPV-RALIUCGRSA-N
Catalogue number
GC76064
Brand
GLPBIO
Computed properties PubChem CID 16212326 · XLogP 1.1 · TPSA 20.2 Ų · H-bond donors 1
XLogP
1.1
TPSA
20.2 Ų
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
8

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

Computed descriptors from PubChem (CID 16212326), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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