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15552-14-4 molecular structure
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bis(oxobarium); oxocalcium; trioxotungsten

ChemBase ID: 151613
Molecular Formular: Ba2CaO6W
Molecular Mass: 594.5684
Monoisotopic Mass: 595.6935037
SMILES and InChIs

SMILES:
O=[Ca].O=[Ba].O=[Ba].O=[W](=O)=O
Canonical SMILES:
O=[W](=O)=O.O=[Ca].O=[Ba].O=[Ba]
InChI:
InChI=1S/2Ba.Ca.6O.W
InChIKey:
JLSWGWVIBBXYRW-UHFFFAOYSA-N

Cite this record

CBID:151613 http://www.chembase.cn/molecule-151613.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(oxobarium); oxocalcium; trioxotungsten
IUPAC Traditional name
bis(barium oxide); limestone; tungsten trioxide
Synonyms
Barium calcium tungsten oxide
氧化钡钙钨
CAS Number
15552-14-4
EC Number
233-159-1
MDL Number
MFCD00171234
PubChem SID
24865967
162245764
PubChem CID
71311524

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
414956 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311524 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0542  LogD (pH = 7.4) -1.0542 
Log P -1.0542  Molar Refractivity 4.3287 cm3
Polarizability 9.691569 Å3 Polar Surface Area 51.21 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
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
20/22 expand Show data source
Safety Statements
28 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H332 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
99.9% trace metals basis expand Show data source
Linear Formula
Ba2CaWO6 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 414956 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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