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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 Mass:
100.12 g/mol
Names and Synonyms:
Tetrahydro-3-Furancarboxaldehyde
3-Furancarboxaldehyde, tetrahydro-
3-Furaldehyde, tetrahydro-
Tetrahydro-3-furancarboxaldehyde
(±)-Tetrahydrofuran-3-carboxaldehyde
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 100.12 g/mol | CAS Common Chemistry |
| 100.117 g/mol | RDKit | |
| 100.052429496 g/mol | RDKit | |
| Canonical SMILES | O=CC1COCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H8O2/c6-3-5-1-2-7-4-5/h3,5H,1-2,4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GSUBXIVOZXWGKF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tetrahydro-3-furancarboxaldehyde | 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 | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 0.2218 | RDKit |
| Molar Refractivity | 24.989999999999988 | RDKit |
