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Chemical structure of Z,Z-Dienestrol-d6

GC70820

Z,Z-Dienestrol-d6

Also known as 2,6-dideuterio-4-[(2Z,4Z)-2,5-dideuterio-4-(3,5-dideuterio-4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol

Z,Z-Dienestrol-d6 is the deuterium labeled Z,Z-Dienestrol

ChemicalCAS91297-99-3MW272.37FormulaC18H12D6O2
CAS number
91297-99-3
Molecular weight
272.37
Formula
C18H12D6O2
InChIKey
NFDFQCUYFHCNBW-QNQXKPHDSA-N
Catalogue number
GC70820
Brand
GLPBIO
Computed properties PubChem CID 71315977 · XLogP 5.4 · TPSA 40.5 Ų · H-bond donors 2
XLogP
5.4
TPSA
40.5 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
20

SMILES [2H]C1=CC(=CC(=C1O)[2H])/C(=C(/C)\[2H])/C(=C(\C)/[2H])/C2=CC(=C(C(=C2)[2H])O)[2H]

Computed descriptors from PubChem (CID 71315977), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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