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Cristobalite
CAS: 14464-46-1 | O2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14464-46-1
Molecular Formula:
O2Si
Molecular Weight:
60.084 g/mol
Names and Synonyms:
Cristobalite
BF 115
Sibelite M 8000
BF 07
Silbond 4000AST
Sibelite M 0072
Sibelite M 0010
Sicron SF 4000
M 72
XPF 6
Sihelco B 2500
Silbond 3000MST
Belcron B 6000
Silbond 006MST
SF 4000
Sibelite M 3000
Sibelite M 4000
Sibelite M 6000
Sibelco B 0012
WGL 300
Crysvarl
43-63C
Metacristobalite
W 006
α-Crystobalite
Cristoballite
Crystoballite
α-Cristobalite
Crystobalite
Cristobalite
Cristobalite (SiO2)
Identifiers:
SMILES:
O=[Si]=O
InChI:
InChI=1S/O2Si/c1-3-2
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 | 60.084 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 59.966755770000006 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 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 | 34.14 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.6184000000000001 | RDKit |
| molecular_mass | 60.08 g/mol | Legacy Database |
| density | 2.30 g/cm³ | Legacy Database |
| cas-boiling-point | 2230 °C None | Legacy Database |
| cas-canonical-smile | O=[Si]=O None | Legacy Database |
| cas-density | 2.3 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/O2Si/c1-3-2 None | Legacy Database |
| cas-inchi-key | InChIKey=VYPSYNLAJGMNEJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 1713 °C None | Legacy Database |
| cas-name | Cristobalite None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 7.126999999999999 | RDKit |
