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2-Furanone
CAS: 497-23-4 | C4H4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
497-23-4
Molecular Formula:
C4H4O2
Molecular Weight:
84.07400000000001 g/mol
Names and Synonyms:
2-Furanone
Common Name
NSC 197009
Synonym
5-Oxo-2,5-dihydrofuran-3-yl ester
Synonym
2,5-Dihydrofuranone
Synonym
Cratone
Synonym
5H-Furan-2-one
Synonym
γ-Crotolactone
Synonym
α,β-Crotonolactone
Synonym
2-Oxo-2,5-dihydrofuran
Synonym
2-Buten-4-olide
Synonym
4-Hydroxy-2-butenoic acid lactone
Synonym
Δα,β-Butenolide
Synonym
2-Butenoic acid, 4-hydroxy-, γ-lactone
Synonym
γ-Crotonolactone
Synonym
4-Hydroxy-2-butenoic acid γ-lactone
Synonym
Isocrotonolactone
Synonym
γ-Hydroxycrotonic acid lactone
Synonym
Crotonic acid, 4-hydroxy-, γ-lactone
Synonym
2(5H)-Furanone
Synonym
2H-Furan-5-one
Synonym
NSC 51296
Synonym
Identifiers:
SMILES:
O=C1C=CCO1
InChI:
InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 84.07 g/mol | Legacy Database |
| density | 1.19 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/2-Furanone None | Legacy Database |
| cas-boiling-point | 86.5 °C None | Legacy Database |
| cas-canonical-smile | O=C1OCC=C1 None | Legacy Database |
| cas-density | 1.193 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2 None | Legacy Database |
| cas-inchi-key | InChIKey=VIHAEDVKXSOUAT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 4.5 °C None | Legacy Database |
| cas-name | 2(5H)-Furanone None | Legacy Database |
| wikipedia-name | 2-Furanone None | Legacy Database |
| LogP | 0.09939999999999993 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 84.07400000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 84.021129368 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.098999999999993 | RDKit |