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Chemical structure of p-Toluic acid-d7

GC71581

p-Toluic acid-d7

Also known as 2,3,5,6-tetradeuterio-4-(trideuteriomethyl)benzoic acid

p-Toluic acid-d7 is the deuterium labeled p-Toluic acid

ChemicalCAS1219798-76-1MW143.19FormulaC8HD7O2
CAS number
1219798-76-1
Molecular weight
143.19
Formula
C8HD7O2
InChIKey
LPNBBFKOUUSUDB-AAYPNNLASA-N
Catalogue number
GC71581
Brand
GLPBIO
Computed properties PubChem CID 129009768 · XLogP 2.3 · TPSA 37.3 Ų · H-bond donors 1
XLogP
2.3
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10

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

Computed descriptors from PubChem (CID 129009768), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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