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Molecule
3-Hydroxytetrahydrofuran
CAS: 453-20-3 · C4H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 453-20-3
- Molecular Formula
- C4H8O2
- Molecular Mass
- 88.11 g/mol
Identifiers
CAS Registry Number
453-20-3
SMILES
OC1CCOC1
InChI Key
XDPCNPCKDGQBAN-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2
Names and Synonyms
- 3-Hydroxytetrahydrofuran Systematic Name
- 3-Furanol, tetrahydro- Synonym
- 3-Furanol, tetrahydro-, (±)- Synonym
- Tetrahydro-3-furanol Synonym
- 3-Hydroxytetrahydrofuran Synonym
- 3-Hydroxyoxolane Synonym
- (RS)-3-Hydroxytetrahydrofuran Synonym
- (±)-3-Hydroxytetrahydrofuran Synonym
- NSC 71875 Synonym
- Riftal Synonym
- 3-Oxacyclopentanol Synonym
- Oxolan-3-ol Synonym
- (3RS)-3-Hydroxytetrahydrofuran Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 88.11 g/mol | CAS Common Chemistry |
| 88.106 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.087 g/cm3 @ 19.14 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3-Hydroxytetrahydrofuran | CAS Common Chemistry |
| Boiling Point | 181 °C | CAS Common Chemistry |
| Canonical SMILES | OC1COCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XDPCNPCKDGQBAN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (±)-3-Hydroxytetrahydrofuran | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | -0.23239999999999994 | RDKit |
| -0.2324 | RDKit | |
| Molar Refractivity | 21.442799999999995 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 88.052429496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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Quick conversion
MW = 88.11 g/mol; density = 1.090 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8O2.
