Back to Search
2-Methylfuran
CAS: 534-22-5 | C5H6O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
534-22-5
Molecular Formula:
C5H6O
Molecular Weight:
82.102 g/mol
Names and Synonyms:
2-Methylfuran
Synonym
Furan, 2-methyl-
Synonym
2-Methylfuran
Synonym
α-Methylfuran
Synonym
Silvan
Synonym
Sylvan
Synonym
5-Methylfuran
Synonym
NSC 3707
Synonym
NSC 5211
Synonym
Identifiers:
SMILES:
Cc1ccco1
InChI:
InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
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
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.444999999999993 | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 82.10 g/mol | Legacy Database |
| density | 0.92 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/2-Methylfuran None | Legacy Database |
| cas-boiling-point | 65 °C None | Legacy Database |
| cas-canonical-smile | O1C=CC=C1C None | Legacy Database |
| cas-density | 0.9159 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=VQKFNUFAXTZWDK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -87.5 °C None | Legacy Database |
| cas-name | 2-Methylfuran None | Legacy Database |
| wikipedia-name | 2-Methylfuran None | Legacy Database |
| LogP | 1.58802 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 82.102 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 82.041864812 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 13.14 Ų | RDKit |