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Ethylene Carbonate
CAS: 96-49-1 | C3H4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
96-49-1
Molecular Formula:
C3H4O3
Molecular Weight:
88.062 g/mol
Names and Synonyms:
Ethylene Carbonate
Common Name
PC Dilanon
Synonym
JS 1002
Synonym
2-Dioxolanone
Synonym
2-Oxo-1,3-dioxolane
Synonym
NSC 16568
Synonym
NSC 11801
Synonym
Jeffsol EC
Synonym
Texacar EC
Synonym
Glycol carbonate
Synonym
Ethylene glycol carbonate
Synonym
Ethylene carbonate
Synonym
Cyclic ethylene carbonate
Synonym
Carbonic acid, cyclic ethylene ester
Synonym
1,3-Dioxolan-2-one
Synonym
Identifiers:
SMILES:
O=C1OCCO1
InChI:
InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 88.062 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 88.016043988 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 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 |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.1532 | RDKit |
| molecular_mass | 88.06 g/mol | Legacy Database |
| density | 1.32 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ethylene_carbonate None | Legacy Database |
| cas-boiling-point | 248 °C None | Legacy Database |
| cas-canonical-smile | O=C1OCCO1 None | Legacy Database |
| cas-density | 1.3214 g/cm3 @ Temp: 39 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=KMTRUDSVKNLOMY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 36.4 °C None | Legacy Database |
| cas-name | Ethylene carbonate None | Legacy Database |
| wikipedia-name | Ethylene carbonate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 17.299999999999997 | RDKit |