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Silanetriol, 1-Methyl-, Sodium Salt (1:?)
CAS: 16589-43-8 | CH6NaO3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16589-43-8
Molecular Formula:
CH6NaO3Si
Molecular Mass:
117.13 g/mol
Names and Synonyms:
Silanetriol, 1-Methyl-, Sodium Salt (1:?)
Silanetriol, 1-methyl-, sodium salt (1:?)
Silanetriol, methyl-, sodium salt
Methylsilanetriol sodium salt
722 Water repellent
Sodium methylsiliconate
GKZh 11
Dryseal C
KZh 11
NS 1
NS 1 (siliconate)
HSL 11
DC 772
XC 3020
Identifiers:
SMILES:
C[Si](O)(O)O.[Na]
InChI:
InChI=1S/CH6O3Si.Na/c1-5(2,3)4;/h2-4H,1H3;
Key Properties
Density
1.24 g/cm³
CAS Common Chemistry
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 | 117.13 g/mol | CAS Common Chemistry |
| 117.13199999999998 g/mol | RDKit | |
| 116.99838986200001 g/mol | RDKit | |
| Density | 1.24 g/cm³ | CAS Common Chemistry |
| 1.240 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Na].O[Si](O)(O)C | CAS Common Chemistry |
| InChI | InChI=1S/CH6O3Si.Na/c1-5(2,3)4;/h2-4H,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=FKNKOPQPFGPJBL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Silanetriol, 1-methyl-, sodium salt (1:?) | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 60.69 Ų | RDKit |
| LogP | -1.8488000000000002 | RDKit |
| Molar Refractivity | 24.028399999999994 | RDKit |
