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Chemical structure of 4-Phenylbutyric acid-d11

GC76012

4-Phenylbutyric acid-d11

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

4-Phenylbutyric acid-d11 is the deuterium labeled 4-Phenylbutyric acid

ChemicalCAS358730-86-6MW175.27FormulaC10HD11O2
CAS number
358730-86-6
Molecular weight
175.27
Formula
C10HD11O2
Solubility
DMSO： 100 mg/mL (570·55 mM; Need ultrasonic and warming)
InChIKey
OBKXEAXTFZPCHS-VRWITDQQSA-N
Catalogue number
GC76012
Brand
GLPBIO
Computed properties PubChem CID 59142288 · XLogP 2.4 · TPSA 37.3 Ų · H-bond donors 1
XLogP
2.4
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
12

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

Computed descriptors from PubChem (CID 59142288), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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