Back to Search
Molecule
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
Identifiers
CAS Registry Number
16589-43-8
SMILES
C[Si](O)(O)O.[Na]
InChI Key
FKNKOPQPFGPJBL-UHFFFAOYSA-N
InChI
InChI=1S/CH6O3Si.Na/c1-5(2,3)4;/h2-4H,1H3;
Names and Synonyms
- Silanetriol, 1-Methyl-, Sodium Salt (1:?) Systematic Name
- Silanetriol, 1-methyl-, sodium salt (1:?) Synonym
- Silanetriol, methyl-, sodium salt Synonym
- Methylsilanetriol sodium salt Synonym
- 722 Water repellent Synonym
- Sodium methylsiliconate Synonym
- GKZh 11 Synonym
- Dryseal C Synonym
- KZh 11 Synonym
- NS 1 Synonym
- NS 1 (siliconate) Synonym
- HSL 11 Synonym
- DC 772 Synonym
- XC 3020 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 117.13 g/mol | CAS Common Chemistry |
| 117.13199999999998 g/mol | RDKit | |
| 117.132 g/mol | RDKit | |
| 118.14 g/mol | chempirical lib | |
| 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 |
| -1.8488 | RDKit | |
| Molar Refractivity | 24.028399999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 116.99838986200001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 117.13 g/mol; density = 1.240 g/mL. Edit any field — others recompute live.
