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2-Methoxyfuran
CAS: 25414-22-6 | C5H6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25414-22-6
Molecular Formula:
C5H6O2
Molecular Mass:
98.10 g/mol
Names and Synonyms:
2-Methoxyfuran
Furan, 2-methoxy-
2-Methoxyfuran
2-Furyl methyl ether
Identifiers:
SMILES:
COc1ccco1
InChI:
InChI=1S/C5H6O2/c1-6-5-3-2-4-7-5/h2-4H,1H3
Key Properties
Boiling Point
110.5 °C
CAS Common Chemistry
Density
1.06 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 | 98.10 g/mol | CAS Common Chemistry |
| 98.10099999999998 g/mol | RDKit | |
| 98.036779432 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.0646 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 110.5 °C | CAS Common Chemistry |
| Canonical SMILES | O1C=CC=C1OC | CAS Common Chemistry |
| InChI | InChI=1S/C5H6O2/c1-6-5-3-2-4-7-5/h2-4H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OXCGHDNCMSOEBZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Methoxyfuran | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 22.37 Ų | RDKit |
| LogP | 1.2881999999999998 | RDKit |
| Molar Refractivity | 25.25999999999999 | RDKit |
