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Vinylene Carbonate
CAS: 872-36-6 | C3H2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
872-36-6
Molecular Formula:
C3H2O3
Molecular Weight:
86.04599999999999 g/mol
Names and Synonyms:
Vinylene Carbonate
Common Name
2H-1,3-Dioxol-2-one
Synonym
LBG 84922
Synonym
Vinylidene carbonate
Synonym
NSC 47201
Synonym
NSC 20980
Synonym
Vinylene carbonate
Synonym
Carbonic acid, cyclic vinylene ester
Synonym
1,3-Dioxol-2-one
Synonym
Identifiers:
SMILES:
O=c1occo1
InChI:
InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H
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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 86.04599999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 86.00039392400001 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 | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 43.35 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.23279999999999998 | RDKit |
| molecular_mass | 86.05 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Vinylene_carbonate None | Legacy Database |
| cas-boiling-point | 73-74 °C @ Press: 32 Torr None | Legacy Database |
| cas-canonical-smile | O=C1OC=CO1 None | Legacy Database |
| cas-inchi | InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H None | Legacy Database |
| cas-inchi-key | InChIKey=VAYTZRYEBVHVLE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 20.5 °C None | Legacy Database |
| cas-name | Vinylene carbonate None | Legacy Database |
| wikipedia-name | Vinylene carbonate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 17.243999999999996 | RDKit |