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12201-48-8 molecular structure
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disodium oxozirconiumbis(olate)

ChemBase ID: 303068
Molecular Formular: Na2O3Zr
Molecular Mass: 185.20174
Monoisotopic Mass: 183.86898642
SMILES and InChIs

SMILES:
[O-][Zr](=O)[O-].[Na+].[Na+]
Canonical SMILES:
[O-][Zr](=O)[O-].[Na+].[Na+]
InChI:
InChI=1S/2Na.3O.Zr/q2*+1;;2*-1;
InChIKey:
FQTDUMBPDRMZJF-UHFFFAOYSA-N

Cite this record

CBID:303068 http://www.chembase.cn/molecule-303068.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium oxozirconiumbis(olate)
IUPAC Traditional name
disodium oxozirconiumbis(olate)
Synonyms
Sodium zirconate
Sodium zirconium oxide
锆酸钠
CAS Number
12201-48-8
EC Number
235-378-8
MDL Number
MFCD00014245

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.69897  H Acceptors
H Donor LogD (pH = 5.5) -3.578295 
LogD (pH = 7.4) -3.7371097  Log P -1.4238 
Molar Refractivity 4.3287 cm3 Polarizability 6.8657103 Å3
Polar Surface Area 63.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
-100 Mesh Powder expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
26 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
GHS Precautionary statements
P280-P305+P351+P338-P302+P352-P321-P362-P332+P313 expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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