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51833-68-2 molecular structure
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iron(3+) ion hydrate phosphate

ChemBase ID: 303143
Molecular Formular: FeH2O5P
Molecular Mass: 168.831641
Monoisotopic Mass: 168.89892229
SMILES and InChIs

SMILES:
O.[O-]P(=O)([O-])[O-].[Fe+3]
Canonical SMILES:
[O-]P(=O)([O-])[O-].O.[Fe+3]
InChI:
InChI=1S/Fe.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/q+3;;/p-3
InChIKey:
RQKNQWUJROKKEQ-UHFFFAOYSA-K

Cite this record

CBID:303143 http://www.chembase.cn/molecule-303143.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
iron(3+) ion hydrate phosphate
IUPAC Traditional name
iron(3+) ion hydrate phosphate
Synonyms
Iron(III) phosphate hydrate
磷酸铁(III)水合物
CAS Number
51833-68-2
EC Number
233-149-7
MDL Number
MFCD00016096

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 31106 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7961261  H Acceptors
H Donor LogD (pH = 5.5) -3.3916447 
LogD (pH = 7.4) -3.9718332  Log P -1.0201038 
Molar Refractivity 11.2868 cm3 Polarizability 5.564544 Å3
Polar Surface Area 86.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Apperance
Powder expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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