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Calcium Dihydrogenphoshate

CAT: 0127-IN11924-01Size: 500 gDry Ice: NoHazardous: No
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CAT#:0127-IN11924-01Size:500 g
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CAS Number
7758-23-8
Synonyms
Calcium; dihydrogen phosphate
Purity
95%
Smiles
OP(=O)(O)[O-].OP(=O)(O)[O-].[Ca+2]

Chemical Information

Calcium Dihydrogen Phosphate

Calcium bis(dihydrogenphosphate) is a calcium phosphate. It has a role as a fertilizer.

CAS Number7758-23-8
PubChem CID24454
IUPAC Namecalcium bis(dihydrogen phosphate)
Molecular FormulaCaH4O8P2
Molecular Weight234.05
Topological Polar Surface Area161
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity49
SMILES
OP(=O)(O)[O-].OP(=O)(O)[O-].[Ca+2]
InChI
InChI=1S/Ca.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2
InChIKey
YYRMJZQKEFZXMX-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Calcium Dihydrogen Phosphate
CAS: 7758-23-8
CID: 24454
Formula: CaH4O8P2
MW: 234.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight234.05
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass233.9007319
Monoisotopic Mass233.9007319
Topological Polar Surface Area161 Ų
Heavy Atom Count11
Formal Charge0
Complexity49.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes