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2-Methylfuran

CAT: 1596-AR-F11045-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F11045-03Size:50 Units
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CAS Number
534-22-5
Molecular Formula
C5H6O
Molecular Weight
82.10
API Name
Furan

Chemical Information

2-Methylfuran

2-methylfuran is a member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a methyl group. It has a role as a fuel, a flavouring agent, a hepatotoxic agent, a plant metabolite and a human urinary metabolite. It is a volatile organic compound and a member of furans.

CAS Number534-22-5
PubChem CID10797
IUPAC Name2-methylfuran
Molecular FormulaC5H6O
Molecular Weight82.10
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
CC1=CC=CO1
InChI
InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
InChIKey
VQKFNUFAXTZWDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylfuran
CAS: 534-22-5
CID: 10797
Formula: C5H6O
MW: 82.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight82.10
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass82.041864811
Monoisotopic Mass82.041864811
Topological Polar Surface Area13.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity43.2
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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