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12013-46-6 molecular structure
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calcium oxostannanebis(olate)

ChemBase ID: 111678
Molecular Formular: CaO3Sn
Molecular Mass: 206.7772
Monoisotopic Mass: 207.84952884
SMILES and InChIs

SMILES:
[Ca+2].[O-][Sn](=O)[O-]
Canonical SMILES:
[O-][Sn](=O)[O-].[Ca+2]
InChI:
InChI=1S/Ca.3O.Sn/q+2;;2*-1;
InChIKey:
HNQGTZYKXIXXST-UHFFFAOYSA-N

Cite this record

CBID:111678 http://www.chembase.cn/molecule-111678.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
calcium oxostannanebis(olate)
IUPAC Traditional name
calcium(2+) oxostannanebis(olate)
calcium oxostannanebis(olate)
Synonyms
CALCIUM STANNATE TECHNICAL GRADE
Calcium stannate
Calcium tin oxide
锡酸钙
CAS Number
12013-46-6
EC Number
234-585-0
MDL Number
MFCD00015980
PubChem SID
162089399
PubChem CID
3084098

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3084098 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.69897  H Acceptors
H Donor LogD (pH = 5.5) -4.0782948 
LogD (pH = 7.4) -4.2371097  Log P -1.9238 
Molar Refractivity 4.3287 cm3 Polarizability 7.7500906 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
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
S:20-25-26-37/39 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
Purity
99% (metals basis excluding Mg), Mg <1% expand Show data source
Grade
TECHNICAL expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05220343 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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