Back to Search
2-Propenoic Acid, Polymer With Sodium Phosphinate (1:1)
CAS: 71050-62-9 | C3H7NaO4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
71050-62-9
Molecular Formula:
C3H7NaO4P
Molecular Mass:
161.05 g/mol
Names and Synonyms:
2-Propenoic Acid, Polymer With Sodium Phosphinate (1:1)
2-Propenoic acid, polymer with sodium phosphinate (1:1)
2-Propenoic acid, polymer with sodium phosphinate
Phosphinic acid, sodium salt, polymer with 2-propenoic acid
TH 164
Identifiers:
SMILES:
C=CC(=O)O.O=[PH2]O.[Na]
InChI:
InChI=1S/C3H4O2.Na.H3O2P/c1-2-3(4)5;;1-3-2/h2H,1H2,(H,4,5);;3H2,(H,1,2)
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 161.05 g/mol | CAS Common Chemistry |
| 161.049 g/mol | RDKit | |
| 160.99796461399998 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C(O)C=C.O=[PH2]O | CAS Common Chemistry |
| InChI | InChI=1S/C3H4O2.Na.H3O2P/c1-2-3(4)5;;1-3-2/h2H,1H2,(H,4,5);;3H2,(H,1,2) | CAS Common Chemistry |
| InChI Key | InChIKey=NOLXQOOJROOLHQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Propenoic acid, polymer with sodium phosphinate (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.6 Ų | RDKit |
| LogP | -0.4738000000000001 | RDKit |
| Molar Refractivity | 36.20210000000001 | RDKit |
