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Molecule
Glycidaldehyde
CAS: 765-34-4 · C3H4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 765-34-4
- Molecular Formula
- C3H4O2
- Molecular Mass
- 72.06 g/mol
Identifiers
CAS Registry Number
765-34-4
SMILES
O=CC1CO1
InChI Key
IWYRWIUNAVNFPE-UHFFFAOYSA-N
InChI
InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2
Names and Synonyms
- Glycidaldehyde Synonym
- Oxiranecarboxaldehyde Synonym
- Epihydrinaldehyde Synonym
- Glycidal Synonym
- 2,3-Epoxypropanal Synonym
- Epoxypropanal Synonym
- Formyloxirane Synonym
- NSC 521506 Synonym
- 2-Oxiranecarboxaldehyde Synonym
- Glycidaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 72.06 g/mol | CAS Common Chemistry |
| 72.063 g/mol | RDKit | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.1403 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 112.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=CC1OC1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IWYRWIUNAVNFPE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -62 °C | CAS Common Chemistry |
| Name | Glycidaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.6 Ų | RDKit |
| LogP | -0.41590000000000005 | RDKit |
| -0.4159 | RDKit | |
| Molar Refractivity | 15.804000000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 72.021129368 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 72.06 g/mol; density = 1.140 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H4O2.
