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Maleic Acid-Methyl Vinyl Ether Copolymer Calcium Sodium Salt
CAS: 62386-95-2 | C7H13CaNaO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
62386-95-2
Molecular Formula:
C7H13CaNaO5
Molecular Mass:
240.24 g/mol
Names and Synonyms:
Maleic Acid-Methyl Vinyl Ether Copolymer Calcium Sodium Salt
2-Butenedioic acid (2Z)-, polymer with methoxyethene, calcium sodium salt
2-Butenedioic acid (Z)-, polymer with methoxyethene, calcium sodium salt
Ethene, methoxy-, polymer with (Z)-2-butenedioic acid, calcium sodium salt
Ethene, methoxy-, polymer with (2Z)-2-butenedioic acid, calcium sodium salt
Fixodent
Maleic acid-methyl vinyl ether copolymer calcium sodium salt
Gantrez AT 955
OraRez MS
Identifiers:
SMILES:
C=COC.O=C(O)/C=CC(=O)O.[Ca].[H].[H].[H].[Na]
InChI:
InChI=1S/C4H4O4.C3H6O.Ca.Na.3H/c5-3(6)1-2-4(7)8;1-3-4-2;;;;;/h1-2H,(H,5,6)(H,7,8);3H,1H2,2H3;;;;;/b2-1-;;;;;;
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 | 240.24 g/mol | CAS Common Chemistry |
| 240.24400000000003 g/mol | RDKit | |
| 240.028658776 g/mol | RDKit | |
| Canonical SMILES | [NaH].O=C(O)C=CC(=O)O.[CaH2].O(C=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H4O4.C3H6O.Ca.Na.3H/c5-3(6)1-2-4(7)8;1-3-4-2;;;;;/h1-2H,(H,5,6)(H,7,8);3H,1H2,2H3;;;;;/b2-1-;;;;;; | CAS Common Chemistry |
| InChI Key | InChIKey=RTEMZYSEASPFCY-PJARZLKDSA-N | CAS Common Chemistry |
| Name | Maleic acid-methyl vinyl ether copolymer calcium sodium salt | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 83.83 Ų | RDKit |
| LogP | 0.06400000000000017 | RDKit |
| Molar Refractivity | 56.46160000000001 | RDKit |
