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Bisphenol A-d6 Diglycidyl Ether

CAT: 0572-TRC-B519502-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B519502-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346600-09-6
Hazard Statement
Causes skin irritation; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])C(c1ccc(OCC2CO2)cc1)(c3ccc(OCC4CO4)cc3)C([2H])([2H])[2H]
Molecular Formula
C21H18D6O4
Molecular Weight
346.45
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Bisphenol A-d6 Diglycidyl Ether
CAS Number1346600-09-6
PubChem CID71314074
IUPAC Name2-[[4-[1,1,1,3,3,3-hexadeuterio-2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
Molecular FormulaC21H24O4
Molecular Weight346.4
XLogP4
Topological Polar Surface Area43.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity384
SMILES
[2H]C([2H])([2H])C(C1=CC=C(C=C1)OCC2CO2)(C3=CC=C(C=C3)OCC4CO4)C([2H])([2H])[2H]
InChI
InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3/i1D3,2D3
InChIKey
LCFVJGUPQDGYKZ-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of Bisphenol A-d6 Diglycidyl Ether
CAS: 1346600-09-6
CID: 71314074
Formula: C21H24O4
MW: 346.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.4
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass346.20511972
Monoisotopic Mass346.20511972
Topological Polar Surface Area43.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity384
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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