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Molecule
Hypophosphorous Acid
CAS: 6303-21-5 · H3O2P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6303-21-5
- Molecular Formula
- H3O2P
- Molecular Mass
- 66.00 g/mol
Identifiers
CAS Registry Number
6303-21-5
SMILES
O=[PH2]O
InChI Key
ACVYVLVWPXVTIT-UHFFFAOYSA-N
InChI
InChI=1S/H3O2P/c1-3-2/h3H2,(H,1,2)
Names and Synonyms
- Hypophosphorous Acid Common Name
- Phosphinic acid Synonym
- Phosphine oxide, hydroxy- Synonym
- Hypophosphorous acid Synonym
- Phosphonous acid Synonym
- Hydroxyphosphine oxide Synonym
- Dihydroxyphosphine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 66.00 g/mol | CAS Common Chemistry |
| 65.996 g/mol | RDKit | |
| Density | 1.48 g/cm³ | CAS Common Chemistry |
| 1.479 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hypophosphorous_acid | CAS Common Chemistry |
| Canonical SMILES | O=[PH2]O | CAS Common Chemistry |
| InChI | InChI=1S/H3O2P/c1-3-2/h3H2,(H,1,2) | CAS Common Chemistry |
| InChI Key | InChIKey=ACVYVLVWPXVTIT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 23-25 °C | CAS Common Chemistry |
| Name | Phosphinic acid | CAS Common Chemistry |
| Hypophosphorous acid | CAS Common Chemistry | |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | -0.35000000000000003 | RDKit |
| -0.35 | RDKit | |
| Molar Refractivity | 12.615299999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 65.987065966 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
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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 = 66.00 g/mol; density = 1.480 g/mL. Edit any field — others recompute live.
