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Molecule
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 Mass
- 46.97 g/mol
Identifiers
CAS Registry Number
1314-24-5
SMILES
[O].[P]
InChI Key
AFCIMSXHQSIHQW-UHFFFAOYSA-N
InChI
InChI=1S/O.P
Names and Synonyms
- Phosphorus Trioxide Common Name
- Phosphorus oxide (P2O3) Synonym
- Diphosphorus trioxide Synonym
- Phosphorus trioxide Synonym
- Phosphorus sesquioxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [O].[P] | CAS Common Chemistry |
| InChI | InChI=1S/O.P | CAS Common Chemistry |
| Molecular Mass | 46.97 g/mol | CAS Common Chemistry |
| 46.973 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phosphorus_trioxide | CAS Common Chemistry |
| Boiling Point | 175.4 °C | CAS Common Chemistry |
| InChI Key | InChIKey=AFCIMSXHQSIHQW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 23.8 °C | CAS Common Chemistry |
| Name | Phosphorus oxide (P2O3) | CAS Common Chemistry |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | 0.7424 | RDKit |
| Molar Refractivity | 7.6065 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 46.96867625 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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.
External Resources
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MW = 46.97 g/mol. Edit any field — others recompute live.
