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12036-70-3 molecular structure
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zirconium(4+) ion titaniumtetrakis(olate)

ChemBase ID: 303397
Molecular Formular: O4TiZr
Molecular Mass: 203.0886
Monoisotopic Mass: 201.83230878
SMILES and InChIs

SMILES:
[O-][Ti]([O-])([O-])[O-].[Zr+4]
Canonical SMILES:
[O-][Ti]([O-])([O-])[O-].[Zr+4]
InChI:
InChI=1S/4O.Ti.Zr/q4*-1;;+4
InChIKey:
WVYRRAZCKRSEHP-UHFFFAOYSA-N

Cite this record

CBID:303397 http://www.chembase.cn/molecule-303397.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
zirconium(4+) ion titaniumtetrakis(olate)
IUPAC Traditional name
zirconium(4+) ion titaniumtetrakis(olate)
Synonyms
Titanium zirconate
Zirconium titanium oxide
钛酸锆
CAS Number
12036-70-3
MDL Number
MFCD00210648

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar 39490 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.1448007  LogD (pH = 7.4) -2.1448 
Log P -2.1448  Molar Refractivity 5.7716 cm3
Polarizability 6.211973 Å3 Polar Surface Area 92.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
-325 Mesh Powder expand Show data source
TSCA Listed
expand Show data source
Purity
99.5% (metals basis excluding Hf), Hf <75ppm expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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