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Hydrotalcite (Mg6(Co3)[Al(Oh)6]2(Oh)4.4H2O)
CAS: 12304-65-3 | CH9AlMgO11-4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12304-65-3
Molecular Formula:
CH9AlMgO11-4
Molecular Weight:
248.35900000000004 g/mol
Names and Synonyms:
Hydrotalcite (Mg6(Co3)[Al(Oh)6]2(Oh)4.4H2O)
Aluminate(3-), hexahydroxy-, carbonate (1:1)
HT 6 (mineral)
HT 100 (mineral)
HT 100
HT 6
Jinxin HT 12
HT 12
DBC 300
N 100 (mineral)
N 100
Sakai HTP
Sakai HTV
D 97
Nano X 33
Arukamak SH
RX 30-4B
LDH 40
AC 207 (mineral)
EXM 2003
EXM 2152
HT 33
Hi-Tal P 1
FM 300
Kyowaad 500SNG
AC 109
FMD
Actisorb RU
AC 207
MA 20
JAM 6
AC 106
Naox 33
AS 01
Magcelar 1
Pural MG 63ABSA
HT 1R-NC
Syntal 696
LD 80
NA 0X19
Hycite 713
C 104 (mineral)
C 104
Syntal HSA 696
HT 373
HT 5-4
Perkalite
ALCA 4
Sorbacid 911
Sorbacid 939
Hytal
Alcamac SN
Hydrotalcite [Mg6Al2(OH)16CO3.4H2O]
RUP 118
KW 900A
CLC 120
IXE 700F
AHT-XA
CT 100
EXM 697-2
Hysafe 539
C 300 (mineral)
Sorbplus PM
C 300
DHT
DHT 44
Nacid
Altacite
Talcid
Hydrotalcite
Hydrotalcite (Mg6(CO3)[Al(OH)6]2(OH)4.4H2O)
Identifiers:
SMILES:
O.O=C([O-])[O-].[Al+3].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
InChI:
InChI=1S/CH2O3.Al.Mg.8H2O/c2-1(3)4;;;;;;;;;;/h(H2,2,3,4);;;8*1H2/q;+3;+2;;;;;;;;/p-9
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 248.36 g/mol | Legacy Database |
| cas-canonical-smile | [Mg+2].[OH-].O=C([O-])[O-].O.[OH-][Al+3]([OH-])([OH-])([OH-])([OH-])[OH-] None | Legacy Database |
| cas-inchi | InChI=1S/CH2O3.Al.Mg.8H2O/c2-1(3)4;;;;;;;;;;/h(H2,2,3,4);;;8*1H2/q;+3;+2;;;;;;;;/p-9 None | Legacy Database |
| cas-inchi-key | InChIKey=AZCAEQSTFJXPFQ-UHFFFAOYSA-E None | Legacy Database |
| cas-name | Hydrotalcite (Mg6(CO3)[Al(OH)6]2(OH)4.4H2O) None | Legacy Database |
| LogP | -5.270899999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 248.35900000000004 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 247.98326075764004 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 14 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 10 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 | 304.69 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 34.0684 | RDKit |
