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2-Methylfuran-d6

CAT: 0572-TRC-M305444-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M305444-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1398065-93-4
Synonyms
5-Methylfuran-d6; NSC 3707-d6; NSC 5211-d6; Silvan-d6; Sylvan-d6; α-Methylfuran-d6;
Hazard Statement
Highly flammable liquid and vapour; UN number: UN2301; Packing Group: II
Purity
>95% (GC)
Smiles
[2H]c1oc(c([2H])c1[2H])C([2H])([2H])[2H]
Molecular Formula
C5D6O
Molecular Weight
88.14
InChI
InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3/i1D3,2D,3D,4D
Additionnal Information
IUPAC name: 2,3,4-trideuterio-5-(trideuteriomethyl)furan
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

2-Methylfuran-D6
CAS Number1398065-93-4
PubChem CID131708589
IUPAC Name2,3,4-trideuterio-5-(trideuteriomethyl)furan
Molecular FormulaC5H6O
Molecular Weight88.14
XLogP1.8
Topological Polar Surface Area13.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity43
SMILES
[2H]C1=C(OC(=C1[2H])C([2H])([2H])[2H])[2H]
InChI
InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3/i1D3,2D,3D,4D
InChIKey
VQKFNUFAXTZWDK-RLTMCGQMSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylfuran-D6
CAS: 1398065-93-4
CID: 131708589
Formula: C5H6O
MW: 88.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight88.14
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass88.079525286
Monoisotopic Mass88.079525286
Topological Polar Surface Area13.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity43.2
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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