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Chemical structure of Hydrocinnamic acid-d5

GC77129

Hydrocinnamic acid-d5

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

Hydrocinnamic acid-d5 is the deuterium labeled Hydrocinnamic acid

ChemicalCAS35845-62-6MW155.21FormulaC9H5D5O2
CAS number
35845-62-6
Molecular weight
155.21
Formula
C9H5D5O2
Solubility
H2O： 5 mg/mL (32·21 mM; Need ultrasonic and warming)
InChIKey
XMIIGOLPHOKFCH-RALIUCGRSA-N
Catalogue number
GC77129
Brand
GLPBIO
Computed properties PubChem CID 90471739 · XLogP 1.8 · TPSA 37.3 Ų · H-bond donors 1
XLogP
1.8
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
11

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

Computed descriptors from PubChem (CID 90471739), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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