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5-Methyl-2-furanone

CAT: 0127-OR1066344-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1066344-01Size:5 g
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CAS Number
1333-38-6
Purity
98% + (sum of isomers)
Smiles
O=C1OC(C=C1)C.O=C2OC(C)=CC2

Chemical Information

4-Hydroxy-2-pentenoic acid gamma-lactone

Beta-angelica lactone is an angelica lactone and a butenolide. It is functionally related to a but-2-en-4-olide. It is a tautomer of an alpha-angelica lactone.

CAS Number1333-38-6
PubChem CID11558
IUPAC Name2-methyl-2H-furan-5-one
Molecular FormulaC5H6O2
Molecular Weight98.10
XLogP0.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity115
SMILES
CC1C=CC(=O)O1
InChI
InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3
InChIKey
BGLUXFNVVSVEET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-2-pentenoic acid gamma-lactone
CAS: 1333-38-6
CID: 11558
Formula: C5H6O2
MW: 98.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight98.10
XLogP30.6
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

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Alternative Products

CatalogName
GTR192528595-Methyl-2 (5H) -furanone
FH46372-015-Hydroxy-4-methyl 2 (5H) furanone
TRC-B697156-10MG5-Bromo-3-methyl-2(5H)-furanone
0140555-Hydroxy-4-methyl-2 (5H) -furanone
TRC-H947030-10G5-Hydroxy-4-methyl-2(5H)-furanone
40834-42-25-HYDROXY-4-METHYL-2 (5H) FURANONE
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TRC-H210530-100MG3-Hydroxy-5-methyl-2(5H)-furanone
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