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Phosphorus Trioxide
CAS: 1314-24-5 | OP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1314-24-5
Molecular Formula:
OP
Molecular Weight:
46.973 g/mol
Names and Synonyms:
Phosphorus Trioxide
Common Name
Phosphorus sesquioxide
Synonym
Phosphorus trioxide
Synonym
Diphosphorus trioxide
Synonym
Phosphorus oxide (P2O3)
Synonym
Identifiers:
SMILES:
[O].[P]
InChI:
InChI=1S/O.P
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 46.97 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Phosphorus_trioxide None | Legacy Database |
| cas-boiling-point | 175.4 °C None | Legacy Database |
| cas-canonical-smile | [O].[P] None | Legacy Database |
| cas-inchi | InChI=1S/O.P None | Legacy Database |
| cas-inchi-key | InChIKey=AFCIMSXHQSIHQW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 23.8 °C None | Legacy Database |
| cas-name | Phosphorus oxide (P2O3) None | Legacy Database |
| wikipedia-name | Phosphorus trioxide None | Legacy Database |
| LogP | 0.7424 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 46.973 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 46.96867625 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 28.5 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 7.6065 | RDKit |