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2-Methyl-3 (2H) -Furanone

CAT: 1596-AR-F11079-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F11079-01Size:10 Units
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CAS Number
41763-99-9
Molecular Formula
C5H6O2
Molecular Weight
98.10
API Name
Furanone

Chemical Information

3(2H)-Furanone, 2-methyl-
CAS Number41763-99-9
PubChem CID6429310
IUPAC Name2-methylfuran-3-one
Molecular FormulaC5H6O2
Molecular Weight98.10
XLogP0.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity115
SMILES
CC1C(=O)C=CO1
InChI
InChI=1S/C5H6O2/c1-4-5(6)2-3-7-4/h2-4H,1H3
InChIKey
FAYUQJQOHOTTKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3(2H)-Furanone, 2-methyl-
CAS: 41763-99-9
CID: 6429310
Formula: C5H6O2
MW: 98.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight98.10
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass98.036779430
Monoisotopic Mass98.036779430
Topological Polar Surface Area26.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity115
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes