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Molecule
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
Identifiers
CAS Registry Number
497-23-4
SMILES
O=C1C=CCO1
InChI Key
VIHAEDVKXSOUAT-UHFFFAOYSA-N
InChI
InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2
Names and Synonyms
- 2-Furanone Systematic Name
- 2(5H)-Furanone Synonym
- Crotonic acid, 4-hydroxy-, γ-lactone Synonym
- γ-Hydroxycrotonic acid lactone Synonym
- Isocrotonolactone Synonym
- 4-Hydroxy-2-butenoic acid γ-lactone Synonym
- γ-Crotonolactone Synonym
- 2-Butenoic acid, 4-hydroxy-, γ-lactone Synonym
- Δα,β-Butenolide Synonym
- 4-Hydroxy-2-butenoic acid lactone Synonym
- 2-Buten-4-olide Synonym
- 2-Oxo-2,5-dihydrofuran Synonym
- α,β-Crotonolactone Synonym
- γ-Crotolactone Synonym
- 5H-Furan-2-one Synonym
- Cratone Synonym
- 2,5-Dihydrofuranone Synonym
- 5-Oxo-2,5-dihydrofuran-3-yl ester Synonym
- NSC 197009 Synonym
- NSC 51296 Synonym
- 2H-Furan-5-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 84.07 g/mol | CAS Common Chemistry |
| 84.07400000000001 g/mol | RDKit | |
| 84.074 g/mol | RDKit | |
| Density | 1.19 g/cm³ | CAS Common Chemistry |
| 1.193 g/cm3 @ 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 |
| 0.0994 | RDKit | |
| Molar Refractivity | 20.098999999999993 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 84.021129368 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 84.07 g/mol; density = 1.190 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H4O2.
