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12036-43-0 molecular structure
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zinc(2+) ion oxotitaniumbis(olate)

ChemBase ID: 141722
Molecular Formular: O3TiZn
Molecular Mass: 161.2452
Monoisotopic Mass: 159.86183216
SMILES and InChIs

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

Cite this record

CBID:141722 http://www.chembase.cn/molecule-141722.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
zinc(2+) ion oxotitaniumbis(olate)
IUPAC Traditional name
zinc(2+) ion oxotitaniumbis(olate)
Synonyms
Zinc titanium oxide
Zinc titanate
钛酸锌
CAS Number
12036-43-0
EC Number
234-850-0
MDL Number
MFCD00054107
PubChem SID
24882624
162235956
PubChem CID
56846072

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
634409 external link Add to cart Please log in.
Data Source Data ID
PubChem 56846072 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.69897  H Acceptors
H Donor LogD (pH = 5.5) -3.578295 
LogD (pH = 7.4) -3.7371097  Log P -1.4238 
Molar Refractivity 4.3287 cm3 Polarizability 5.2817564 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
nanopowder expand Show data source
Density
5.74 g/mL at 25 °C(lit.) 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
3 expand Show data source
Risk Statements
22 expand Show data source
Safety Statements
36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Particle Size
<100 nm (BET) expand Show data source
Linear Formula
ZnTiO4 · ZnTiO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 634409 external link
Packaging
25 g in glass bottle
Physical properties
The resistivity of this nanopowder exhibits a transition to metal-like behavior as the temperature is increased.1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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