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Chemical structure of Benzyl cinnamate-d5

GC72028

Benzyl cinnamate-d5

Also known as (2,3,4,5,6-pentadeuteriophenyl)methyl (E)-3-phenylprop-2-enoate

Benzyl cinnamate-d5 is the deuterium labeled Benzyl cinnamate

ChemicalCAS347840-02-2MW243.31FormulaC16H9D5O2
CAS number
347840-02-2
Molecular weight
243.31
Formula
C16H9D5O2
InChIKey
NGHOLYJTSCBCGC-MAOTZQGHSA-N
Catalogue number
GC72028
Brand
GLPBIO
Computed properties PubChem CID 102601100 · XLogP 3.8 · TPSA 26.3 Ų · H-bond donors 0
XLogP
3.8
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
18

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])COC(=O)/C=C/C2=CC=CC=C2)[2H])[2H]

Computed descriptors from PubChem (CID 102601100), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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