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Chemical structure of Bisphenol A-d14

GC71528

Bisphenol A-d14

Also known as 2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)propan-2-yl]phenol

Bisphenol A-d14 is a deuterium labeled Bisphenol A

ChemicalCAS120155-79-5MW242.37FormulaC15H2D14O2
CAS number
120155-79-5
Molecular weight
242.37
Formula
C15H2D14O2
InChIKey
IISBACLAFKSPIT-DDAUHAMOSA-N
Catalogue number
GC71528
Brand
GLPBIO
Computed properties PubChem CID 101116266 · 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])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H])[2H])O)[2H]

Computed descriptors from PubChem (CID 101116266), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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