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4,4′-Oxydiphthalic Anhydride
CAS: 1823-59-2 | C16H6O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1823-59-2
Molecular Formula:
C16H6O7
Molecular Mass:
310.22 g/mol
Names and Synonyms:
4,4′-Oxydiphthalic Anhydride
1,3-Isobenzofurandione, 5,5′-oxybis-
Phthalic anhydride, 4,4′-oxydi-
5,5′-Oxybis[1,3-isobenzofurandione]
3,4,3′,4′-Diphenyl ether tetracarboxylic anhydride
3,3′,4,4′-Tetracarboxydiphenyl ether dianhydride
3,3′,4,4′-Tetracarboxydiphenyl oxide dianhydride
4,4′-Oxydiphthalic anhydride
4,4′-Oxybis(phthalic anhydride)
3,3′,4,4′-Diphenyloxytetracarboxylic acid anhydride
3,3′,4,4′-Diphenyloxytetracarboxylic anhydride
3,3′,4,4′-Diphenyl ether tetracarboxylic dianhydride
3,3′,4,4′-Diphenyl oxide tetracarboxylic dianhydride
Bis(3,4-dicarboxyphenyl)ether dianhydride
3,3′,4,4′-Diphenyl ether tetracarboxylic anhydride
4,4′-Oxydiphthalic dianhydride
3,3′,4,4′-Diphenyl ether tetracarboxylic acid dianhydride
3,3′,4,4′-Diphenyloxytetracarboxylic dianhydride
ODPA
ODPA-M
OPDA
4,4′-Oxydiphthalic acid dianhydride
5,5′-Oxydiisobenzofuran-1,3-dione
4,4′-Oxybiphthalic anhydride
OPDA (oxydiphthalic anhydride)
Bis(3,4-dicarboxyphenyl) ether anhydride
Bis(3,4-dicarboxydiphenyl) ether dianhydride
4-(1,3-Dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy-2-benzofuran-1,3-dione
Bis-(3-phthalyl anhydride) ether
Identifiers:
SMILES:
O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(=O)OC4=O)ccc21
InChI:
InChI=1S/C16H6O7/c17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18/h1-6H
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 | 310.22 g/mol | CAS Common Chemistry |
| 310.21700000000004 g/mol | RDKit | |
| 310.011352532 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(=O)C2=CC(OC3=CC=C4C(=O)OC(=O)C4=C3)=CC=C12 | CAS Common Chemistry |
| InChI | InChI=1S/C16H6O7/c17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18/h1-6H | CAS Common Chemistry |
| InChI Key | InChIKey=QQGYZOYWNCKGEK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4,4′-Oxydiphthalic anhydride | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 95.97000000000003 Ų | RDKit |
| LogP | 2.1001 | RDKit |
| Molar Refractivity | 72.45000000000002 | RDKit |
