Calcium sulfate hemihydrate

2CaSO4·H2OCAS 10034-76-1290.28 g/mol

Open in Covalent MOL file
O−SO−OOO−SO−OOH2OCa2+Ca2+

Properties

Molecular formula
2CaSO4·H2O
Molar mass
290.28 g/mol
Exact mass
289.8392 Da
Density
2.69 g/mL
logP
-1.86Crippen estimate
Polar surface area
106.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
10034-76-1
SMILES
[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.O.[Ca+2].[Ca+2]
InChIKey
ZOMBKNNSYQHRCA-UHFFFAOYSA-J
InChI
InChI=1S/2Ca.2H2O4S.H2O/c;;2*1-5(2,3)4;/h;;2*(H2,1,2,3,4);1H2/q2*+2;;;/p-4

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Names and synonyms

11 names
  • Sulfuric acid, calcium salt, hydrate (2:2:1)
  • Sulfuric acid, calcium salt (1:1), hemihydrate
  • Calcium sulfate (CaSO4) hemihydrate
  • Calcium sulfate (CaSO4) hydrate (2:1)
  • Calcium sulfate hemihydrate (CaSO4.0.5H2O)
  • P 23 (Sulfate)
  • P 23
  • Keramod A 20
  • Prestia 23
  • BonePlast
  • ZP 151

Work with Calcium sulfate hemihydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Calcium sulfate dihydrate10101-41-4100 % similar Calcium sulfate7778-18-980 % similar Ytterbium sulfate (Yb2(SO4)3) octahydrate10034-98-771 % similar Cobalt sulfate (CoSO4) heptahydrate10026-24-167 % similar Manganese sulfate monohydrate10034-96-567 % similar Magnesium sulfate heptahydrate10034-99-867 % similar Nickel sulfate hexahydrate10101-97-067 % similar Nickel sulfate heptahydrate10101-98-167 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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