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Chemical structure of (Rac)-Hexestrol-d4

GC71699

(Rac)-Hexestrol-d4

Also known as 4-[2,2,5,5-tetradeuterio-4-(4-hydroxyphenyl)hexan-3-yl]phenol

(Rac)-Hexestrol-d4 is the deuterium labeled (Rac)-Hexestrol

ChemicalCAS1189950-25-1MW274.39FormulaC18H18D4O2
CAS number
1189950-25-1
Molecular weight
274.39
Formula
C18H18D4O2
InChIKey
PBBGSZCBWVPOOL-KHORGVISSA-N
Catalogue number
GC71699
Brand
GLPBIO
Computed properties PubChem CID 46781694 · XLogP 5.2 · TPSA 40.5 Ų · H-bond donors 2
XLogP
5.2
TPSA
40.5 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
20

SMILES [2H]C([2H])(C)C(C1=CC=C(C=C1)O)C(C2=CC=C(C=C2)O)C([2H])([2H])C

Computed descriptors from PubChem (CID 46781694), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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