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Chemical structure of Bisphenol A-d16

GC75862

Bisphenol A-d16

Also known as 1,2,4,5-tetradeuterio-3-deuteriooxy-6-[1,1,1,3,3,3-hexadeuterio-2-(2,3,5,6-tetradeuterio-4-deuteriooxyphenyl)propan-2-yl]benzene

Bisphenol A-d16 is the deuterium labeled Bisphenol A

ChemicalCAS96210-87-6MW244.38FormulaC15D16O2
CAS number
96210-87-6
Molecular weight
244.38
Formula
C15D16O2
InChIKey
IISBACLAFKSPIT-MAJJRYNQSA-N
Catalogue number
GC75862
Brand
GLPBIO
Computed properties PubChem CID 16212886 · XLogP 3.3 · TPSA 40.5 Ų · H-bond donors 2
XLogP
3.3
TPSA
40.5 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17

SMILES [2H]C1=C(C(=C(C(=C1C(C2=C(C(=C(C(=C2[2H])[2H])O[2H])[2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H])[2H])O[2H])[2H]

Computed descriptors from PubChem (CID 16212886), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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