Back to Search
Tetrahydro-3-Furancarboxaldehyde
CAS: 79710-86-4 | C5H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
79710-86-4
Molecular Formula:
C5H8O2
Molecular Weight:
100.117 g/mol
Names and Synonyms:
Tetrahydro-3-Furancarboxaldehyde
(±)-Tetrahydrofuran-3-carboxaldehyde
Tetrahydro-3-furancarboxaldehyde
3-Furaldehyde, tetrahydro-
3-Furancarboxaldehyde, tetrahydro-
Identifiers:
SMILES:
O=CC1CCOC1
InChI:
InChI=1S/C5H8O2/c6-3-5-1-2-7-4-5/h3,5H,1-2,4H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 100.12 g/mol | Legacy Database |
| cas-canonical-smile | O=CC1COCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H8O2/c6-3-5-1-2-7-4-5/h3,5H,1-2,4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=GSUBXIVOZXWGKF-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Tetrahydro-3-furancarboxaldehyde None | Legacy Database |
| LogP | 0.2218 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 100.117 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 100.052429496 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.989999999999988 | RDKit |
