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Phosphorous Acid
CAS: 13598-36-2 | H3O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13598-36-2
Molecular Formula:
H3O3P
Molecular Weight:
81.99499999999999 g/mol
Names and Synonyms:
Phosphorous Acid
Common Name
Dihydroxyphosphine oxide
Synonym
Phosphorous acid
Synonym
Phosphonic acid
Synonym
Identifiers:
SMILES:
O=[PH](O)O
InChI:
InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)
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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 81.99499999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 81.981980586 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 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 | 57.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.6393 | RDKit |
| molecular_mass | 82.00 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Phosphorous_acid None | Legacy Database |
| cas-canonical-smile | O=P(O)O None | Legacy Database |
| cas-inchi | InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3) None | Legacy Database |
| cas-inchi-key | InChIKey=ABLZXFCXXLZCGV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 73 °C (approx) None | Legacy Database |
| cas-name | Phosphonic acid None | Legacy Database |
| wikipedia-name | Phosphorous acid None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 13.439099999999998 | RDKit |