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Molecule
4,4′-Oxydiphthalic Anhydride
CAS: 1823-59-2 · C16H6O7
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1823-59-2
- Molecular Formula
- C16H6O7
- Molecular Mass
- 310.22 g/mol
Identifiers
CAS Registry Number
1823-59-2
SMILES
O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(=O)OC4=O)ccc21
InChI Key
QQGYZOYWNCKGEK-UHFFFAOYSA-N
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
Names and Synonyms
- 4,4′-Oxydiphthalic Anhydride Synonym
- 1,3-Isobenzofurandione, 5,5′-oxybis- Synonym
- Phthalic anhydride, 4,4′-oxydi- Synonym
- 5,5′-Oxybis[1,3-isobenzofurandione] Synonym
- 3,4,3′,4′-Diphenyl ether tetracarboxylic anhydride Synonym
- 3,3′,4,4′-Tetracarboxydiphenyl ether dianhydride Synonym
- 3,3′,4,4′-Tetracarboxydiphenyl oxide dianhydride Synonym
- 4,4′-Oxydiphthalic anhydride Synonym
- 4,4′-Oxybis(phthalic anhydride) Synonym
- 3,3′,4,4′-Diphenyloxytetracarboxylic acid anhydride Synonym
- 3,3′,4,4′-Diphenyloxytetracarboxylic anhydride Synonym
- 3,3′,4,4′-Diphenyl ether tetracarboxylic dianhydride Synonym
- 3,3′,4,4′-Diphenyl oxide tetracarboxylic dianhydride Synonym
- Bis(3,4-dicarboxyphenyl)ether dianhydride Synonym
- 3,3′,4,4′-Diphenyl ether tetracarboxylic anhydride Synonym
- 4,4′-Oxydiphthalic dianhydride Synonym
- 3,3′,4,4′-Diphenyl ether tetracarboxylic acid dianhydride Synonym
- 3,3′,4,4′-Diphenyloxytetracarboxylic dianhydride Synonym
- ODPA Synonym
- ODPA-M Synonym
- OPDA Synonym
- 4,4′-Oxydiphthalic acid dianhydride Synonym
- 5,5′-Oxydiisobenzofuran-1,3-dione Synonym
- 4,4′-Oxybiphthalic anhydride Synonym
- OPDA (oxydiphthalic anhydride) Synonym
- Bis(3,4-dicarboxyphenyl) ether anhydride Synonym
- Bis(3,4-dicarboxydiphenyl) ether dianhydride Synonym
- 4-(1,3-Dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy-2-benzofuran-1,3-dione Synonym
- Bis-(3-phthalyl anhydride) ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 310.22 g/mol | CAS Common Chemistry |
| 310.21700000000004 g/mol | RDKit | |
| 310.217 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 |
| 95.97 Ų | RDKit | |
| LogP | 2.1001 | RDKit |
| Molar Refractivity | 72.45000000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 310.011352532 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
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MW = 310.22 g/mol. Edit any field — others recompute live.
