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Palygorskite ([Mg(Al0.5-1Fe0-0.5)]Si4(Oh)O10.4H2O)
CAS: 12174-11-7 | H3AlFeMgO7Si2-3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12174-11-7
Molecular Formula:
H3AlFeMgO7Si2-3
Molecular Weight:
278.32099999999997 g/mol
Names and Synonyms:
Palygorskite ([Mg(Al0.5-1Fe0-0.5)]Si4(Oh)O10.4H2O)
Attaflow SF
CN 2-20
Agsorb 24/48LVM GA
Agsorb 325RVM GA
Cimsil G 30
FZ 40
Feizhou FZ 40
XG 001
U 400
Lanya U 400
FZ 80
PalyGel 200
Attaclay LVM
JC-C 303
Streptomagma
Attagel 25
Poleisy
701A
Sysorb 1
JC-C 503
ATT 50
SL 50
Attapulgite 420P
ATL 1090
HTDK
Attaflow FL
Amcol FLT
Agsorb LVM-GA 24/48
Poleisy PF
Microsorb 300
Flow Gyutto
Microsorb 400LVM
Clarsol ATC
CAA
OF 400
Microsorb 350
Attagel All
Super Gel B
Pharmasorb Regular
Min-U-Gel G 35
Attagel DC 150
L 96117
Attagel 30
Attagel 350
Min-U-Gel 100
DC 150
Min-U-Gel AR
Attagel 2059
Attagel 36
Min-U-Gel 400
Attaclay X 250
Diluex
Min-U-Gel 200
Attaclay
Attacote
Attasorb
X 250
200U/P-RVM
Attagel 150
Attagel 50
Attagel
Zeogel
RVM-FG
Attagel 40
Min-U-Gel FG
Permagel
Attapulgite
Palygorskite
Palygorskite ([Mg(Al0.5-1Fe0-0.5)]Si4(OH)O10.4H2O)
Identifiers:
SMILES:
O.O=[Si]([O-])O[Si](=O)[O-].[Al].[Fe].[Mg].[OH-]
InChI:
InChI=1S/Al.Fe.Mg.O5Si2.2H2O/c;;;1-6(2)5-7(3)4;;/h;;;;2*1H2/q;;;-2;;/p-1
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 | 278.32099999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 277.84489406573 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 12 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 150.99 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -5.2112 | RDKit |
| molecular_mass | 278.32 g/mol | Legacy Database |
| density | 2.20 g/cm³ | Legacy Database |
| cas-canonical-smile | [Mg].[Al].[Fe].[OH-].O=[Si]([O-])O[Si](=O)[O-].O None | Legacy Database |
| cas-density | 2.2 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/Al.Fe.Mg.O5Si2.2H2O/c;;;1-6(2)5-7(3)4;;/h;;;;2*1H2/q;;;-2;;/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=ZYWNCCPSJWJYPR-UHFFFAOYSA-M None | Legacy Database |
| cas-name | Palygorskite ([Mg(Al0.5-1Fe0-0.5)]Si4(OH)O10.4H2O) None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.023599999999995 | RDKit |
