Aluminium sulfate octadecahydrate
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CAS Number 7784-31-8
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Catalog Number io-406835
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Molecular Weight 666.4000
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SMILES O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]
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Aluminium sulfate octadecahydrate is a hydrate resulting from the the formal combination of anhydrous aluminium sulfate with approximately 18 mol eq. of water. The commercial product usually contains 5-10% less water than theory. It is one of the commonest hydrates of aluminium sulfate. It is a hydrate and an aluminium sulfate. It contains an aluminium sulfate (anhydrous).
| 1 | Aluminium Sulfate Octadecahydrate |
| 2 | Aluminum sulfate octadecahydrate |
| 3 | Patent alum |
| 4 | Cake alum octadecahydrate |
| 5 | aluminum(III) sulfate octadecahydrate |
| Molecular Formula | Al2H36O30S3 |
|---|---|
| Canonical SMILES | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3] |
| Isomeric SMILES | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3] |
| Molecular Weight | 666.4000 |
| InChIKey | AMVQGJHFDJVOOB-UHFFFAOYSA-H |
| InChI | InChI=1S/2Al.3H2O4S.18H2O/c;;3*1-5(2,3)4;;;;;;;;;;;;;;;;;;/h;;3*(H2,1,2,3,4);18*1H2/q2*+3;;;;;;;;;;;;;;;;;;;;;/p-6 |
| XLogP | 0.0000 |
| ExactMass | 666.0084 |
| MonoisotopicMass | 666.0084 |
| TPSA | 284.0000 |
| Complexity | 62.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 18 |
| HBondAcceptorCount | 30 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 35 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 23 |
| PatentCount | 3944 |
| PatentFamilyCount | 2022 |
| LiteratureCount | 2 |
