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Tetrahydrocyclobuta[1,2-C:3,4-C′]Difuran-1,3,4,6-Tetrone
CAS: 4415-87-6 | C8H4O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4415-87-6
Molecular Formula:
C8H4O6
Molecular Mass:
196.11 g/mol
Names and Synonyms:
Tetrahydrocyclobuta[1,2-C:3,4-C′]Difuran-1,3,4,6-Tetrone
Cyclobuta[1,2-c:3,4-c′]difuran-1,3,4,6-tetrone, tetrahydro-
Cyclobuta[1,2-c:3,4-c′]difurantetrone, tetrahydro-
1,2,3,4-Cyclobutanetetracarboxylic 1,2:3,4-dianhydride
1,2,3,4-Cyclobutanetetracarboxylic dianhydride
Tetrahydrocyclobuta[1,2-c:3,4-c′]difuran-1,3,4,6-tetrone
Cyclobutane-1,2,3,4-tetracarboxylic acid dianhydride
Maleic anhydride cyclic dimer
Cyclobutanetetracarboxylic dianhydride
Cyclobutanetetracarboxylic acid dianhydride
CBDA
1,2,3,4-Tetracarboxycyclobutane dianhydride
Identifiers:
SMILES:
O=C1OC(=O)C2C1C1C(=O)OC(=O)C21
InChI:
InChI=1S/C8H4O6/c9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12/h1-4H
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.11 g/mol | CAS Common Chemistry |
| 196.11399999999995 g/mol | RDKit | |
| 196.000787848 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(=O)C2C1C3C(=O)OC(=O)C23 | CAS Common Chemistry |
| InChI | InChI=1S/C8H4O6/c9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12/h1-4H | CAS Common Chemistry |
| InChI Key | InChIKey=YGYCECQIOXZODZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tetrahydrocyclobuta[1,2-c:3,4-c′]difuran-1,3,4,6-tetrone | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 86.74000000000001 Ų | RDKit |
| LogP | -1.3684000000000003 | RDKit |
| Molar Refractivity | 36.15800000000001 | RDKit |
