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539-68-4

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Basic Information
CAS No.: 539-68-4
Name: DIHYDROXYALUMINUMSODIUMCARBONATE
Molecular Structure:
Molecular Structure of 539-68-4 (DIHYDROXYALUMINUMSODIUMCARBONATE)
Formula: CH5AlNaO5
Molecular Weight: 143.9949
Synonyms: Basic aluminum sodium carbonate;sodium; aluminum; hydroxyformate; dihydrate;Aluminum, (carbonato(1-)-O)dihydroxy-, monosodium salt;Sodium (carbonato)dihydroxyaluminate(1-);Sodium (carbonato(2-)-O)dihydroxyaluminate(1-);Aluminate(1-), (carbonato(2-)-kappaO)dihydroxy-, sodium;Sodium (T-4)-(carbonato(2-)-O,O)dihydroxyaluminate(1-);12011-77-7;
Density: 2.144
PSA: 103.65000
LogP: -2.68810
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Specification

The Dihydroxyaluminum sodium carbonate, with the CAS registry number 539-68-4, has the systematic name of dihydroxyaluminum(1+) sodium carbonate (1:1:1). Its calssification code is Antacid. And the molecular formula of this chemical is CH2AlNaO5.

The physical properties of Dihydroxyaluminum sodium carbonate are as following: (1)#H bond acceptors: 5; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 103.65 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O[Al+]O.[O-]C([O-])=O
(2)InChI: InChI=1/CH2O3.Al.Na.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/q;+3;+1;;/p-4/rCH2O3.AlH2O2.Na/c2-1(3)4;2-1-3;/h(H2,2,3,4);2-3H;/q;2*+1/p-2
(3)InChIKey: SEIGJEJVIMIXIU-GRHVGONVAA