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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 Mass:
84.07 g/mol
Names and Synonyms:
2-Furanone
2(5H)-Furanone
Crotonic acid, 4-hydroxy-, γ-lactone
γ-Hydroxycrotonic acid lactone
Isocrotonolactone
4-Hydroxy-2-butenoic acid γ-lactone
γ-Crotonolactone
2-Butenoic acid, 4-hydroxy-, γ-lactone
Δα,β-Butenolide
4-Hydroxy-2-butenoic acid lactone
2-Buten-4-olide
2-Oxo-2,5-dihydrofuran
α,β-Crotonolactone
γ-Crotolactone
5H-Furan-2-one
Cratone
2,5-Dihydrofuranone
5-Oxo-2,5-dihydrofuran-3-yl ester
NSC 197009
NSC 51296
2H-Furan-5-one
Identifiers:
SMILES:
O=C1C=CCO1
InChI:
InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2
Key Properties
Boiling Point
86.5 °C
CAS Common Chemistry
Melting Point
4.5 °C
CAS Common Chemistry
Density
1.19 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 84.07 g/mol | CAS Common Chemistry |
| 84.07400000000001 g/mol | RDKit | |
| 84.021129368 g/mol | RDKit | |
| Density | 1.19 g/cm³ | CAS Common Chemistry |
| 1.193 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Furanone | CAS Common Chemistry |
| Boiling Point | 86.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1OCC=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VIHAEDVKXSOUAT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 4.5 °C | CAS Common Chemistry |
| Name | 2(5H)-Furanone | CAS Common Chemistry |
| 2-Furanone | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 0.09939999999999993 | RDKit |
| Molar Refractivity | 20.098999999999993 | RDKit |
