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Epoxypropanal
CAS: 765-34-4 | C3H4O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
765-34-4
Molecular Formula:
C3H4O2
Molecular Weight:
72.063 g/mol
Names and Synonyms:
Epoxypropanal
Synonym
Glycidaldehyde
Synonym
Oxiranecarboxaldehyde
Synonym
Epihydrinaldehyde
Synonym
Glycidal
Synonym
2,3-Epoxypropanal
Synonym
Formyloxirane
Synonym
NSC 521506
Synonym
2-Oxiranecarboxaldehyde
Synonym
Glycidaldehyde
Synonym
Identifiers:
SMILES:
O=CC1CO1
InChI:
InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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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 | 72.06 g/mol | Legacy Database |
| density | 1.14 g/cm³ | Legacy Database |
| cas-boiling-point | 112.5 °C None | Legacy Database |
| cas-canonical-smile | O=CC1OC1 None | Legacy Database |
| cas-density | 1.1403 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=IWYRWIUNAVNFPE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -62 °C None | Legacy Database |
| cas-name | Glycidaldehyde None | Legacy Database |
| LogP | -0.41590000000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 72.063 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 72.021129368 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 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 | 29.6 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 15.804000000000002 | RDKit |