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2,5-Dimethylfuran-d6

CAT: 0572-TRC-D473053-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D473053-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
121571-93-5
Synonyms
2,5-Dimethylfuran D6 (Dimethyl D6); Furan, 2,5-di(methyl-d3)- (9CI)
Hazard Statement
Harmful if swallowed; UN number: UN1993; Packing Group: II
Purity
>95% (GC)
Smiles
[2H]C([2H])([2H])c1oc(cc1)C([2H])([2H])[2H]
Molecular Formula
C6 2H6 H2 O
Molecular Weight
102.16
InChI
InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3/i1D3,2D3
Additionnal Information
IUPAC name: 2,5-bis(trideuteriomethyl)furan
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

2,5-Dimethylfuran-d6

See also: 2,5-Dimethylfuran (annotation moved to).

CAS Number121571-93-5
PubChem CID71777167
IUPAC Name3,4-dideuterio-2-(deuteriomethyl)-5-(trideuteriomethyl)furan
Molecular FormulaC6H8O
Molecular Weight102.16
XLogP2.2
Topological Polar Surface Area13.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity53
SMILES
[2H]CC1=C(C(=C(O1)C([2H])([2H])[2H])[2H])[2H]
InChI
InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3/i1D,2D3,3D,4D
InChIKey
GSNUFIFRDBKVIE-SPDFDVHRSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dimethylfuran-d6
CAS: 121571-93-5
CID: 71777167
Formula: C6H8O
MW: 102.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.16
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass102.095175350
Monoisotopic Mass102.095175350
Topological Polar Surface Area13.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity53.2
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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