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Molecule
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 Mass
- 82.00 g/mol
Identifiers
CAS Registry Number
13598-36-2
SMILES
O=[PH](O)O
InChI Key
ABLZXFCXXLZCGV-UHFFFAOYSA-N
InChI
InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)
Names and Synonyms
- Phosphorous Acid Common Name
- Phosphonic acid Synonym
- Phosphorous acid Synonym
- Dihydroxyphosphine oxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 82.00 g/mol | CAS Common Chemistry |
| 81.99499999999999 g/mol | RDKit | |
| 81.995 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phosphorous_acid | CAS Common Chemistry |
| Canonical SMILES | O=P(O)O | CAS Common Chemistry |
| InChI | InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3) | CAS Common Chemistry |
| InChI Key | InChIKey=ABLZXFCXXLZCGV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 73 °C (approx) | CAS Common Chemistry |
| Name | Phosphonic acid | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -0.6393 | RDKit |
| Molar Refractivity | 13.439099999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 81.981980586 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 82.00 g/mol. Edit any field — others recompute live.
