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Diphenic Anhydride
CAS: 6050-13-1 | C14H8O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6050-13-1
Molecular Formula:
C14H8O3
Molecular Mass:
224.21 g/mol
Names and Synonyms:
Diphenic Anhydride
2,2′-Diphenyldicarboxylic anhydride
Diphenic anhydride
Dibenz[c,e]oxepin-5,7-dione
2,2′-Biphenyldicarboxylic anhydride
2,2′-Diphenic anhydride
Diphenic acid anhydride
NSC 116225
NSC 67689
2,2′-Biphenyldicarboxylic acid anhydride
Identifiers:
SMILES:
O=c1oc(=O)c2ccccc2c2ccccc12
InChI:
InChI=1S/C14H8O3/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(16)17-13/h1-8H
Key Properties
Melting Point
217 °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 | 224.21 g/mol | CAS Common Chemistry |
| 224.21499999999997 g/mol | RDKit | |
| 224.04734411599998 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(=O)C=2C=CC=CC2C=3C=CC=CC13 | CAS Common Chemistry |
| InChI | InChI=1S/C14H8O3/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(16)17-13/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=RTSGJTANVBJFFJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 217 °C | CAS Common Chemistry |
| Name | Diphenic anhydride | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 47.28 Ų | RDKit |
| LogP | 2.3064 | RDKit |
| Molar Refractivity | 66.26000000000003 | RDKit |
