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12323-03-4 molecular structure
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pentaniobium(5+) ion dibarium(2+) ion sodium pentadecaoxidandiide

ChemBase ID: 302735
Molecular Formular: Ba2NaNb5O15
Molecular Mass: 1002.16667
Monoisotopic Mass: 1003.25587258
SMILES and InChIs

SMILES:
[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Na+].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Ba+2].[Ba+2]
Canonical SMILES:
[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Na+].[Nb+5].[Nb+5].[Nb+5].[Nb+5]
InChI:
InChI=1S/2Ba.Na.5Nb.15O/q2*+2;+1;5*+5;15*-2
InChIKey:
SEQQXXCCTTVCHH-UHFFFAOYSA-N

Cite this record

CBID:302735 http://www.chembase.cn/molecule-302735.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pentaniobium(5+) ion dibarium(2+) ion sodium pentadecaoxidandiide
IUPAC Traditional name
pentaniobium(5+) ion dibarium(2+) ion sodium pentadecaoxidandiide
Synonyms
Barium sodium niobium oxide, Puratronic®
氧化钡钠铌, Puratronic®
CAS Number
12323-03-4
EC Number
235-586-9
MDL Number
MFCD00064627

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar 10649 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.7  H Acceptors
H Donor LogD (pH = 5.5) -0.652 
LogD (pH = 7.4) -0.652  Log P -0.652 
Molar Refractivity 13.1149 cm3 Polarizability 1.8190874 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Powder expand Show data source
European Hazard Symbols
X expand Show data source
UN Number
UN1564 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/22 expand Show data source
Safety Statements
28 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H302-H332 expand Show data source
GHS Precautionary statements
P261-P264-P304+P340-P301+P312-P312-P501A expand Show data source
Purity
99.999% (metals basis) expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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