Back to Search
Glycolide
CAS: 502-97-6 | C4H4O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
502-97-6
Molecular Formula:
C4H4O4
Molecular Weight:
116.07199999999999 g/mol
Names and Synonyms:
Glycolide
1,4-Dioxane-2,5-dione
Glycolide
p-Dioxane-2,5-dione
Acetic acid, hydroxy-, bimol. cyclic ester
Glycollide
Diglycolide
Glycolide S
NSC 403079
Identifiers:
SMILES:
O=C1COC(=O)CO1
InChI:
InChI=1S/C4H4O4/c5-3-1-7-4(6)2-8-3/h1-2H2
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
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 52.60000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.9136 | RDKit |
| molecular_mass | 116.07 g/mol | Legacy Database |
| cas-canonical-smile | O=C1OCC(=O)OC1 None | Legacy Database |
| cas-inchi | InChI=1S/C4H4O4/c5-3-1-7-4(6)2-8-3/h1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=RKDVKSZUMVYZHH-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 82 °C None | Legacy Database |
| cas-name | Glycolide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.917999999999992 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 116.07199999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 116.01095860800001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
