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12032-31-4 molecular structure
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magnesium(2+) ion oxozirconiumbis(olate)

ChemBase ID: 110192
Molecular Formular: MgO3Zr
Molecular Mass: 163.5272
Monoisotopic Mass: 161.87448956
SMILES and InChIs

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

Cite this record

CBID:110192 http://www.chembase.cn/molecule-110192.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
magnesium(2+) ion oxozirconiumbis(olate)
IUPAC Traditional name
magnesium(2+) oxozirconiumbis(olate)
Synonyms
MAGNESIUM ZIRCONATE
CAS Number
12032-31-4
EC Number
234-768-5
PubChem SID
162095415
PubChem CID
16212530

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05214072 external link Add to cart Please log in.
Data Source Data ID
PubChem 16212530 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.332832  H Acceptors
H Donor LogD (pH = 5.5) -1.4238 
LogD (pH = 7.4) -1.4238005  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

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Flammable Flammable (F) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:15-17 expand Show data source
Safety Statements
S:7/8 expand Show data source
Purity
92% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05214072 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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