Aluminium sulfate hexadecahydrate

Catalog Number	ACM16828118-1
CAS	16828-11-8
Structure
Synonyms	Sulfuric acid, aluminum salt (3:2), hexadecahydrate
Molecular Weight	630.4
Molecular Formula	Al2H32O28S3
Canonical SMILES	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]
InChI	InChI=1S/2Al.3H2O4S.16H2O/c;3*1-5(2,3)4;/h;3*(H2,1,2,3,4);16*1H2/q2*+3;/p-6
InChI Key	TYYRFZAVEXQXSN-UHFFFAOYSA-H
Melting Point	770 °C
Purity	98%+
Complexity	62.2
Covalently-Bonded Unit Count	21
Defined Atom Stereocenter Count	0
Exact Mass	629.987301
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	28
Hydrogen Bond Donor Count	16
Monoisotopic Mass	629.987301
Rotatable Bond Count	0
Topological Polar Surface Area	282 Ų