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66827-12-1

Basic Information
CAS No.: 66827-12-1
Name: Almagate
Molecular Structure:
Molecular Structure of 66827-12-1 (Almagate)
Formula: AlMg3.(CO3).(OH)7.2(H2O)
Molecular Weight: 314.99
Synonyms: Aluminum magnesium carbonate hydroxide (AlMg3(CO3)(OH)7) dihydrate;Almagatum [INN-Latin];Almagato [INN-Spanish];LAS 3876;Almax (antacid);Magnesium,[carbonato(2-)]heptahydroxy- (aluminum)tri-,dihydrate;aluminum(+3) cation; magnesium(+2) cation; carbonate; heptahydroxide; dihydrate;Magnesium, (carbonato(2-))heptahydroxy(aluminum)tri-, dihydrate;Almagate EP;Almagate [USAN:INN];
EINECS: N/A
Density: N/A
Melting Point: N/A
Boiling Point: 333.6 °C at 760 mmHg
Flash Point: 169.8 °C
Solubility: N/A
Appearance: White or off-white powder
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 195.60000
LogP: -1.29800
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Specification

This chemical is called Almagate, and it can also be named as Aluminum magnesium carbonate hydroxide dihydrate. It is an aluminium- and magnesium-containing antacid. With the molecular formula of AlMg3.(CO3).(OH)7.2(H2O), its molecular weight is 314.99. The CAS registry number of this chemical is 66827-12-1. Additionally, its classification codes are Antacid; Antacids.

Other characteristics of the Almagate can be summarised as followings: (1)ACD/LogP: -0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.98; (4)ACD/LogD (pH 7.4): -3.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 57.53 Å2; (13)Flash Point: 169.8 °C; (14)Enthalpy of Vaporization: 63.37 kJ/mol; (15)Boiling Point: 333.6 °C at 760 mmHg; (16)Vapour Pressure: 2.58E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [Al+3].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[O-]C([O-])=O.[OH-].[OH-].[OH-].[OH-].O.O
2.InChI: InChI=1/CH2O3.Al.3Mg.9H2O/c2-1(3)4;;;;;;;;;;;;;/h(H2,2,3,4);;;;;9*1H2/q;+3;3*+2;;;;;;;;;/p-9
3.InChIKey: MTEOMEWVDVPTNN-MBBIINEJAH