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Molecule
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
Identifiers
CAS Registry Number
62386-95-2
SMILES
C=COC.O=C(O)/C=CC(=O)O.[Ca].[H].[H].[H].[Na]
InChI Key
RTEMZYSEASPFCY-PJARZLKDSA-N
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-;;;;;;
Names and Synonyms
- Maleic Acid-Methyl Vinyl Ether Copolymer Calcium Sodium Salt Synonym
- 2-Butenedioic acid (2Z)-, polymer with methoxyethene, calcium sodium salt Synonym
- 2-Butenedioic acid (Z)-, polymer with methoxyethene, calcium sodium salt Synonym
- Ethene, methoxy-, polymer with (Z)-2-butenedioic acid, calcium sodium salt Synonym
- Ethene, methoxy-, polymer with (2Z)-2-butenedioic acid, calcium sodium salt Synonym
- Fixodent Synonym
- Maleic acid-methyl vinyl ether copolymer calcium sodium salt Synonym
- Gantrez AT 955 Synonym
- OraRez MS Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.24 g/mol | CAS Common Chemistry |
| 240.24400000000003 g/mol | RDKit | |
| 240.244 g/mol | RDKit | |
| 243.268 g/mol | chempirical lib | |
| 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 |
| 0.064 | RDKit | |
| Molar Refractivity | 56.46160000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 240.028658776 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 240.24 g/mol. Edit any field — others recompute live.
