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Molecule
Tetrahydrocyclobuta[1,2-C:3,4-C′]Difuran-1,3,4,6-Tetrone
CAS: 4415-87-6 · C8H4O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4415-87-6
- Molecular Formula
- C8H4O6
- Molecular Mass
- 196.11 g/mol
Identifiers
CAS Registry Number
4415-87-6
SMILES
O=C1OC(=O)C2C1C1C(=O)OC(=O)C21
InChI Key
YGYCECQIOXZODZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H4O6/c9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12/h1-4H
Names and Synonyms
- Tetrahydrocyclobuta[1,2-C:3,4-C′]Difuran-1,3,4,6-Tetrone Synonym
- Cyclobuta[1,2-c:3,4-c′]difuran-1,3,4,6-tetrone, tetrahydro- Synonym
- Cyclobuta[1,2-c:3,4-c′]difurantetrone, tetrahydro- Synonym
- 1,2,3,4-Cyclobutanetetracarboxylic 1,2:3,4-dianhydride Synonym
- 1,2,3,4-Cyclobutanetetracarboxylic dianhydride Synonym
- Tetrahydrocyclobuta[1,2-c:3,4-c′]difuran-1,3,4,6-tetrone Synonym
- Cyclobutane-1,2,3,4-tetracarboxylic acid dianhydride Synonym
- Maleic anhydride cyclic dimer Synonym
- Cyclobutanetetracarboxylic dianhydride Synonym
- Cyclobutanetetracarboxylic acid dianhydride Synonym
- CBDA Synonym
- 1,2,3,4-Tetracarboxycyclobutane dianhydride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.11 g/mol | CAS Common Chemistry |
| 196.11399999999995 g/mol | RDKit | |
| 196.114 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 |
| 86.74 Ų | RDKit | |
| LogP | -1.3684000000000003 | RDKit |
| -1.3684 | RDKit | |
| Molar Refractivity | 36.15800000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 196.000787848 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
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MW = 196.11 g/mol. Edit any field — others recompute live.
