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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 Weight:
117.13199999999998 g/mol
Names and Synonyms:
Silanetriol, 1-Methyl-, Sodium Salt (1:?)
XC 3020
DC 772
HSL 11
NS 1 (siliconate)
NS 1
KZh 11
Dryseal C
GKZh 11
Sodium methylsiliconate
722 Water repellent
Methylsilanetriol sodium salt
Silanetriol, methyl-, sodium salt
Silanetriol, 1-methyl-, sodium salt (1:?)
Identifiers:
SMILES:
C[Si](O)(O)O.[Na]
InChI:
InChI=1S/CH6O3Si.Na/c1-5(2,3)4;/h2-4H,1H3;
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 117.13199999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 116.99838986200001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 60.69 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.8488000000000002 | RDKit |
| molecular_mass | 117.13 g/mol | Legacy Database |
| density | 1.24 g/cm³ | Legacy Database |
| cas-canonical-smile | [Na].O[Si](O)(O)C None | Legacy Database |
| cas-density | 1.240 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/CH6O3Si.Na/c1-5(2,3)4;/h2-4H,1H3; None | Legacy Database |
| cas-inchi-key | InChIKey=FKNKOPQPFGPJBL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Silanetriol, 1-methyl-, sodium salt (1:?) None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.028399999999994 | RDKit |
