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Calcium phosphate dibasic dihydrate

CAT: 0862-GL2559-5kgSize: 5 KgDry Ice: NoHazardous: No
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CAT#:0862-GL2559-5kgSize:5 Kg
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CAS Number
7789-77-7
EC Number
231-826-1
MDL Number
MFCD00149621
HS Code
28352500
Purity
98.00%
Molecular Formula
CaHPO4 · 2H2O
Molecular Weight
172.09
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

Brushite

Calcium hydrogenphosphate dihydrate is a calcium salt and a hydrate.

CAS Number7789-77-7
PubChem CID104805
IUPAC Namecalcium;hydrogen phosphate;dihydrate
Molecular FormulaCaH5O6P
Molecular Weight172.09
Topological Polar Surface Area85.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity46
SMILES
O.O.OP(=O)([O-])[O-].[Ca+2]
InChI
InChI=1S/Ca.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+2;;;/p-2
InChIKey
XAAHAAMILDNBPS-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Brushite
CAS: 7789-77-7
CID: 104805
Formula: CaH5O6P
MW: 172.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.09
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass171.9449657
Monoisotopic Mass171.9449657
Topological Polar Surface Area85.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity46.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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