Back to Search
4,4′-Oxybis[Benzoic Acid]
CAS: 2215-89-6 | C14H10O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2215-89-6
Molecular Formula:
C14H10O5
Molecular Mass:
258.23 g/mol
Names and Synonyms:
4,4′-Oxybis[Benzoic Acid]
Benzoic acid, 4,4′-oxybis-
Benzoic acid, 4,4′-oxydi-
Benzoic acid, p,p′-oxydi-
Benzoic acid, p,p′-oxybis-
4,4′-Oxybis[benzoic acid]
4,4′-Dicarboxydiphenyl oxide
4,4′-Oxydibenzoic acid
4,4′-Dicarboxydiphenyl ether
4-(4-Carboxyphenoxy)benzoic acid
4,4′-Oxydiphenylenedicarboxylic acid
Diphenyl ether-4,4′-dicarboxylic acid
BAS 85763
NSC 39046
4,4′-Biphenyl ether dicarboxylic acid
Di(4-carboxyphenyl) ether
4,4′-Dicarboxy biphenyl ether
Identifiers:
SMILES:
O=C(O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1
InChI:
InChI=1S/C14H10O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18)
Key Properties
Boiling Point
256-259 °C
CAS Common Chemistry
Melting Point
>285 °C
CAS Common Chemistry
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 | 258.23 g/mol | CAS Common Chemistry |
| 258.229 g/mol | RDKit | |
| 258.05282342000004 g/mol | RDKit | |
| Boiling Point | 256-259 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C1=CC=C(OC2=CC=C(C=C2)C(=O)O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H10O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18) | CAS Common Chemistry |
| InChI Key | InChIKey=WVDRSXGPQWNUBN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >285 °C | CAS Common Chemistry |
| Name | 4,4′-Oxybis[benzoic acid] | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 83.83 Ų | RDKit |
| LogP | 2.875300000000001 | RDKit |
| Molar Refractivity | 66.87660000000001 | RDKit |
