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Molecule
(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
Identifiers
CAS Registry Number
906-65-0
SMILES
O=C1CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O1
InChI Key
CXYNGWAHZKOMJQ-UHFFFAOYSA-N
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
Names and Synonyms
- (Triphenylphosphoranylidene)Succinic Anhydride Synonym
- 2,5-Furandione, dihydro-3-(triphenylphosphoranylidene)- Synonym
- Succinic anhydride, (triphenylphosphoranylidene)- Synonym
- Dihydro-3-(triphenylphosphoranylidene)-2,5-furandione Synonym
- (2,5-Dioxotetrahydrofuranylidene)triphenylphosphorane Synonym
- (Triphenylphosphoranylidene)succinic anhydride Synonym
- 3-(Triphenylphosphoranylidene)dihydro-2,5-furandione Synonym
- NSC 238927 Synonym
- 2-(Triphenylphosphoranylidene)succinic anhydride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 360.35 g/mol | CAS Common Chemistry |
| 360.3490000000001 g/mol | RDKit | |
| 360.349 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 |
| 43.37 Ų | RDKit | |
| LogP | 2.626400000000001 | RDKit |
| 2.6264 | RDKit | |
| Molar Refractivity | 105.87100000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0455 | RDKit |
| 0.05 | chempirical lib | |
| Exact Mass | 360.09153103399996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| 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 = 360.35 g/mol. Edit any field — others recompute live.
