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Molecule
2,3-Dihydrofuran
CAS: 1191-99-7 · C4H6O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1191-99-7
- Molecular Formula
- C4H6O
- Molecular Mass
- 70.09 g/mol
Identifiers
CAS Registry Number
1191-99-7
SMILES
C1=COCC1
InChI Key
JKTCBAGSMQIFNL-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2
Names and Synonyms
- 2,3-Dihydrofuran Systematic Name
- Furan, 2,3-dihydro- Synonym
- 2,3-Dihydrofuran Synonym
- 4,5-Dihydrofuran Synonym
- NSC 85221 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 70.09 g/mol | CAS Common Chemistry |
| 70.09100000000001 g/mol | RDKit | |
| 70.091 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.927 g/cm3 @ 15.5 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2,3-Dihydrofuran | CAS Common Chemistry |
| Boiling Point | 54.5 °C | CAS Common Chemistry |
| Canonical SMILES | O1C=CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JKTCBAGSMQIFNL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 265 °C | CAS Common Chemistry |
| Name | 2,3-Dihydrofuran | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 0.9204 | RDKit |
| 0.91 | chempirical lib | |
| Molar Refractivity | 19.708999999999996 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 70.041864812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 70.09 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H6O.
