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Chemical structure of P-Toluene-D7-sulfonic acid H2O

GC72562

P-Toluene-D7-sulfonic acid H2O

Also listed as p-Toluenesulfonic acid-d7 monohydrate

p-Toluenesulfonic acid-d7 (monohydrate) is the deuterium labeled p-Toluenesulfonic acid monohydrate

ChemicalCAS1219795-22-8MW197.26FormulaC7H3D7O4S
CAS number
1219795-22-8
Molecular weight
197.26
Formula
C7H3D7O4S
Solubility
H2O : 100 mg/mL (506·95 mM; Need ultrasonic and warming)
InChIKey
KJIFKLIQANRMOU-ANHTTWOXSA-N
Catalogue number
GC72562
Brand
GLPBIO
Computed properties PubChem CID 124202842 · TPSA 63.8 Ų · H-bond donors 2 · H-bond acceptors 4
TPSA
63.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
12

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

Computed descriptors from PubChem (CID 124202842), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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