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Chemical structure of 4-Hydroxyphenylacetic acid-d6

GC71985

4-Hydroxyphenylacetic acid-d6

Also known as 2,2-dideuterio-2-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetic acid

4-Hydroxyphenylacetic acid-d6 is the deuterium labeled 4-Hydroxyphenylacetic acid

ChemicalCAS100287-06-7MW158.18FormulaC8H2D6O3
CAS number
100287-06-7
Molecular weight
158.18
Formula
C8H2D6O3
InChIKey
XQXPVVBIMDBYFF-NVSFMWKBSA-N
Catalogue number
GC71985
Brand
GLPBIO
Computed properties PubChem CID 59838712 · XLogP 0.8 · TPSA 57.5 Ų · H-bond donors 2
XLogP
0.8
TPSA
57.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
11

SMILES [2H]C1=C(C(=C(C(=C1C([2H])([2H])C(=O)O)[2H])[2H])O)[2H]

Computed descriptors from PubChem (CID 59838712), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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