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52014-82-1 molecular structure
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$l^{1}-cerium(1+) ion titanium(1+) ion oxidandiide

ChemBase ID: 111685
Molecular Formular: CeOTi
Molecular Mass: 203.9824
Monoisotopic Mass: 203.84829892
SMILES and InChIs

SMILES:
[O-2].[Ti+].[Ce+]
Canonical SMILES:
[O-2].[Ti+].[Ce+]
InChI:
InChI=1S/Ce.O.Ti/q+1;-2;+1
InChIKey:
HZAAKXDLQZZYCK-UHFFFAOYSA-N

Cite this record

CBID:111685 http://www.chembase.cn/molecule-111685.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
$l^{1}-cerium(1+) ion titanium(1+) ion oxidandiide
IUPAC Traditional name
$l^{1}-cerium(1+) ion titanium(1+) ion oxide(2-)
Synonyms
CERIUM TITANATE
CAS Number
52014-82-1
EC Number
257-606-5
PubChem SID
162090807
PubChem CID
171111

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05220363 external link Add to cart Please log in.
Data Source Data ID
PubChem 171111 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.7  H Acceptors
H Donor LogD (pH = 5.5) -0.652 
LogD (pH = 7.4) -0.652  Log P -0.652 
Molar Refractivity 13.1149 cm3 Polarizability 1.8190874 Å3
Polar Surface Area 0.0 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:17 expand Show data source
Safety Statements
S:29 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05220363 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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