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Chemical structure of Cinnamic acid-d6

GC65528

Cinnamic acid-d6

Also known as (E)-3-deuterio-3-(2,3,4,5,6-pentadeuteriophenyl)prop-2-enoic acid

Cinnamic acid-d6 (3-Phenylacrylic acid-d6) is the deuterium labeled Cinnamic acid· Cinnamic acid has potential use in cancer intervention, with IC50s of 1-4·5 mM in glioblastoma, melanoma, prostate and lung carcinoma cells

ChemicalCAS91453-04-2MW154.2FormulaC9H2D6O2
CAS number
91453-04-2
Molecular weight
154.2
Formula
C9H2D6O2
Solubility
DMSO ： 250 mg/mL (1621·27 mM; Need ultrasonic)
InChIKey
WBYWAXJHAXSJNI-UMENIHJVSA-N
Catalogue number
GC65528
Brand
GLPBIO
Computed properties PubChem CID 16213747 · XLogP 2.1 · TPSA 37.3 Ų · H-bond donors 1
XLogP
2.1
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11

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

Computed descriptors from PubChem (CID 16213747), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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