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Metasilicic Acid
CAS: 7699-41-4 | H2O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7699-41-4
Molecular Formula:
H2O3Si
Molecular Weight:
78.099 g/mol
Names and Synonyms:
Metasilicic Acid
Synonym
Silicic acid (H2SiO3)
Synonym
Metasilicic acid
Synonym
Silicon hydroxide oxide (Si(OH)2O)
Synonym
Identifiers:
SMILES:
O=[Si](O)O
InChI:
InChI=1S/H2O3Si/c1-4(2)3/h1-2H
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 |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 78.10 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Metasilicic_acid None | Legacy Database |
| cas-canonical-smile | O=[Si](O)O None | Legacy Database |
| cas-inchi | InChI=1S/H2O3Si/c1-4(2)3/h1-2H None | Legacy Database |
| cas-inchi-key | InChIKey=IJKVHSBPTUYDLN-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 203-205 °C None | Legacy Database |
| cas-name | Silicic acid (H2SiO3) None | Legacy Database |
| wikipedia-name | Metasilicic acid None | Legacy Database |
| LogP | -1.6136000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 78.099 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 77.97732045400001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 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 | 57.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 10.878099999999998 | RDKit |