Calcium sulfate dihydrate

Catalog Number	ACM10101414-1
CAS	10101-41-4
Structure
Synonyms	Phosphogypsum
Molecular Weight	172.17
Molecular Formula	CaH4O6S
Canonical SMILES	O.O.[O-]S(=O)(=O)[O-].[Ca+2]
InChI	InChI=1S/Ca.H2O4S.2H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);2*1H2/q+2;/p-2
InChI Key	PASHVRUKOFIRIK-UHFFFAOYSA-L
Melting Point	128 °C
Purity	99%
Appearance	Powder
Exact Mass	171.9354499
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Monoisotopic Mass	171.9354499
Rotatable Bond Count	0
Topological Polar Surface Area	90.6 Ų