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2,3-Dimethylfuran

CAT: 0572-TRC-D460983-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D460983-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14920-89-9
Hazard Statement
Highly flammable liquid and vapour; UN number: UN1993; Packing Group: II
Smiles
CC1=C(OC=C1)C
Molecular Formula
C6H8O
Molecular Weight
96.13
Shipping Conditions
Ice Packs
Storage Conditions
+4°C

Chemical Information

2,3-Dimethylfuran
CAS Number14920-89-9
PubChem CID34337
IUPAC Name2,3-dimethylfuran
Molecular FormulaC6H8O
Molecular Weight96.13
XLogP1.8
Topological Polar Surface Area13.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity61
SMILES
CC1=C(OC=C1)C
InChI
InChI=1S/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H3
InChIKey
FJSKXQVRKZTKSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dimethylfuran
CAS: 14920-89-9
CID: 34337
Formula: C6H8O
MW: 96.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight96.13
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass96.057514874
Monoisotopic Mass96.057514874
Topological Polar Surface Area13.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity61.2
Isotope Atom Count0
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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