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Vinylphosphonic Acid
CAS: 1746-03-8 | C2H5O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1746-03-8
Molecular Formula:
C2H5O3P
Molecular Weight:
108.03299999999997 g/mol
Names and Synonyms:
Vinylphosphonic Acid
Phosphonic acid, P-ethenyl-
Phosphonic acid, vinyl-
Phosphonic acid, ethenyl-
P-Ethenylphosphonic acid
Ethenephosphonic acid
Ethylenephosphonic acid
Vinylphosphonic acid
ITC 467
Identifiers:
SMILES:
C=CP(=O)(O)O
InChI:
InChI=1S/C2H5O3P/c1-2-6(3,4)5/h2H,1H2,(H2,3,4,5)
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 |
|---|
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 | 108.03 g/mol | Legacy Database |
| density | 1.40 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Vinylphosphonic_acid None | Legacy Database |
| LogP | 0.30759999999999993 | RDKit |
| cas-boiling-point | 97-98 °C @ Press: 2 Torr None | Legacy Database |
| cas-canonical-smile | O=P(O)(O)C=C None | Legacy Database |
| cas-density | 1.398 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H5O3P/c1-2-6(3,4)5/h2H,1H2,(H2,3,4,5) None | Legacy Database |
| cas-inchi-key | InChIKey=ZTWTYVWXUKTLCP-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Vinylphosphonic acid None | Legacy Database |
| wikipedia-name | Vinylphosphonic acid None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 108.03299999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 107.99763065 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 57.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 22.241099999999996 | RDKit |
