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(Triphenylphosphoranylidene)Succinic Anhydride
CAS: 906-65-0 | C22H17O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
906-65-0
Molecular Formula:
C22H17O3P
Molecular Mass:
360.35 g/mol
Names and Synonyms:
(Triphenylphosphoranylidene)Succinic Anhydride
2,5-Furandione, dihydro-3-(triphenylphosphoranylidene)-
Succinic anhydride, (triphenylphosphoranylidene)-
Dihydro-3-(triphenylphosphoranylidene)-2,5-furandione
(2,5-Dioxotetrahydrofuranylidene)triphenylphosphorane
(Triphenylphosphoranylidene)succinic anhydride
3-(Triphenylphosphoranylidene)dihydro-2,5-furandione
NSC 238927
2-(Triphenylphosphoranylidene)succinic anhydride
Identifiers:
SMILES:
O=C1CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O1
InChI:
InChI=1S/C22H17O3P/c23-21-16-20(22(24)25-21)26(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
Key Properties
Melting Point
162.5-163.5 °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 | 360.35 g/mol | CAS Common Chemistry |
| 360.3490000000001 g/mol | RDKit | |
| 360.09153103399996 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(=O)CC1=P(C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C22H17O3P/c23-21-16-20(22(24)25-21)26(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CXYNGWAHZKOMJQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 162.5-163.5 °C | CAS Common Chemistry |
| Name | (Triphenylphosphoranylidene)succinic anhydride | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| LogP | 2.626400000000001 | RDKit |
| Molar Refractivity | 105.87100000000002 | RDKit |
