Back to Search
Furo[3,4-B]Pyrazine-5,7-Dione
CAS: 4744-50-7 | C6H2N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4744-50-7
Molecular Formula:
C6H2N2O3
Molecular Weight:
150.09299999999996 g/mol
Names and Synonyms:
Furo[3,4-B]Pyrazine-5,7-Dione
Furo[3,4-b]pyrazine-5,7-dione
2,3-Pyrazinedicarboxylic anhydride
2,3-Pyrazinedicarboxylic acid anhydride
Identifiers:
SMILES:
O=C1OC(=O)c2nccnc21
InChI:
InChI=1S/C6H2N2O3/c9-5-3-4(6(10)11-5)8-2-1-7-3/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 |
|---|
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 | 150.09 g/mol | Legacy Database |
| cas-canonical-smile | O=C1OC(=O)C2=NC=CN=C12 None | Legacy Database |
| cas-inchi | InChI=1S/C6H2N2O3/c9-5-3-4(6(10)11-5)8-2-1-7-3/h1-2H None | Legacy Database |
| cas-inchi-key | InChIKey=AWJWCTOOIBYHON-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | >170 °C (decomp) None | Legacy Database |
| cas-name | Furo[3,4-b]pyrazine-5,7-dione None | Legacy Database |
| LogP | -0.2128 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 150.09299999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 150.006541924 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 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 | 69.15 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.778 | RDKit |
